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6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol)

Catalog Number ACM1541178555
CAS 1541178-55-5
Synonyms 2-(1-Adamantyl)-6-[[2-[[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]methyl-phenylphosphanyl]ethyl-phenylphosphanyl]methyl]-4-methylphenol
IUPAC Name 2-(1-adamantyl)-6-[[2-[[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]methyl-phenylphosphanyl]ethyl-phenylphosphanyl]methyl]-4-methylphenol
Molecular Weight 754.41
Molecular Formula C50H60O2P2
InChI MUZIHSKOEGTHPM-VXNPZPMISA-N
InChI Key InChI=1S/C50H60O2P2/c1-33-15-41(47(51)45(17-33)49-25-35-19-36(26-49)21-37(20-35)27-49)31-53(43-9-5-3-6-10-43)13-14-54(44-11-7-4-8-12-44)32-42-16-34(2)18-46(48(42)52)50-28-38-22-39(29-50)24-40(23-38)30-50/h3-12,15-18,35-40,51-52H,13-14,19-32H2,1-2H3/t35?,36?,37?,38?,39?,40?,49?,50?,53-,54-/m1/s1
Purity 98%
Isomeric SMILES CC1=CC(=C(C(=C1)C23CC4CC(C2)CC(C4)C3)O)C[P@@](CC[P@](CC5=C(C(=CC(=C5)C)C67CC8CC(C6)CC(C8)C7)O)C9=CC=CC=C9)C1=CC=CC=C1
Q&A

What is the molecular formula of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol)?

The molecular formula of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol) is C50H60O2P2.

What is the molecular weight of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol)?

The molecular weight of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol) is 755.0g/mol.

What is the Canonical SMILES of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol)?

The Canonical SMILES of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol) is CC1=CC(=C(C(=C1)C23CC4CC(C2)CC(C4)C3)O)CP(CCP(CC5=C(C(=CC(=C5)C)C67CC8CC(C6)CC(C8)C7)O)C9=CC=CC=C9)C1=CC=CC=C1.

How many hydrogen bond acceptors are present in 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol)?

There are 2 hydrogen bond acceptors present in 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol).

What is the topological polar surface area of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol)?

The topological polar surface area of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol) is 40.5.

What is the XLogP3 value of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol)?

The XLogP3 value of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol) is 12.6.

What is the InChI of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol)?

The InChI of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol) is InChI=1S/C50H60O2P2/c1-33-15-41(47(51)45(17-33)49-25-35-19-36(26-49)21-37(20-35)27-49)31-53(43-9-5-3-6-10-43)13-14-54(44-11-7-4-8-12-44)32-42-16-34(2)18-46(48(42)52)50-28-38-22-39(29-50)24-40(23-38)30-50/h3-12,15-18,35-40,51-52H,13-14,19-32H2,1-2H3/t35?,36?,37?,38?,39?,40?,49?,50?,53-,54-/m1/s1.

What is the Depositor-Supplied Synonym for 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol)?

The Depositor-Supplied Synonym for 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol) is 1541178-55-5.

How many rotatable bonds are present in 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol)?

There are 11 rotatable bonds present in 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol).

What is the name of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol) according to IUPAC?

The IUPAC name of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(2-(adamantan-1-yl)-4-methylphenol) is 2-(1-adamantyl)-6-[[2-[[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]methyl-phenylphosphanyl]ethyl-phenylphosphanyl]methyl]-4-methylphenol.

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