6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(4-(tert-butyl)-2-(3,5-dimethyladamantan-1-yl)phenol)

Catalog Number	ACM1541178737
CAS	1541178-73-7
Synonyms	4-Tert-butyl-2-[[2-[[5-tert-butyl-3-(3,5-dimethyl-1-adamantyl)-2-hydroxyphenyl]methyl-phenylphosphanyl]ethyl-phenylphosphanyl]methyl]-6-(3,5-dimethyl-1-adamantyl)phenol
IUPAC Name	4-tert-butyl-2-[[2-[[5-tert-butyl-3-(3,5-dimethyl-1-adamantyl)-2-hydroxyphenyl]methyl-phenylphosphanyl]ethyl-phenylphosphanyl]methyl]-6-(3,5-dimethyl-1-adamantyl)phenol
Molecular Weight	894.56
Molecular Formula	C60H80O2P2
InChI	WDLWAZZLUDNNIT-VAZDZVOSSA-N
InChI Key	InChI=1S/C60H80O2P2/c1-53(2,3)45-23-43(51(61)49(25-45)59-31-41-27-55(7,37-59)35-56(8,28-41)38-59)33-63(47-17-13-11-14-18-47)21-22-64(48-19-15-12-16-20-48)34-44-24-46(54(4,5)6)26-50(52(44)62)60-32-42-29-57(9,39-60)36-58(10,30-42)40-60/h11-20,23-26,41-42,61-62H,21-22,27-40H2,1-10H3/t41?,42?,55?,56?,57?,58?,59?,60?,63-,64-/m1/s1
Purity	98%
Isomeric SMILES	CC12CC3CC(C1)(CC(C3)(C2)C4=CC(=CC(=C4O)C[P@@](CC[P@](CC5=C(C(=CC(=C5)C(C)(C)C)C67CC8CC(C6)(CC(C8)(C7)C)C)O)C9=CC=CC=C9)C1=CC=CC=C1)C(C)(C)C)C

Q&A

What is the Canonical SMILES for 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(4-(tert-butyl)-2-(3,5-dimethyladamantan-1-yl)phenol)?

Canonical SMILES: CC12CC3CC(C1)(CC(C3)(C2)C4=CC(=CC(=C4O)CP(CCP(CC5=C(C(=CC(=C5)C(C)(C)C)C67CC8CC(C6)(CC(C8)(C7)C)C)O)C9=CC=CC=C9)C1=CC=CC=C1)C(C)(C)C)C

What is the IUPAC Name of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(4-(tert-butyl)-2-(3,5-dimethyladamantan-1-yl)phenol)?

IUPAC Name: 4-tert-butyl-2-[[2-[[5-tert-butyl-3-(3,5-dimethyl-1-adamantyl)-2-hydroxyphenyl]methyl-phenylphosphanyl]ethyl-phenylphosphanyl]methyl]-6-(3,5-dimethyl-1-adamantyl)phenol

What is the molecular formula of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(4-(tert-butyl)-2-(3,5-dimethyladamantan-1-yl)phenol)?

Molecular Formula: C60H80O2P2

What is the molecular weight of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(4-(tert-butyl)-2-(3,5-dimethyladamantan-1-yl)phenol)?

Molecular Weight: 895.2g/mol

What is the monoisotopic mass of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(4-(tert-butyl)-2-(3,5-dimethyladamantan-1-yl)phenol)?

Monoisotopic Mass: 894.56335579

What is the InChIKey of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(4-(tert-butyl)-2-(3,5-dimethyladamantan-1-yl)phenol)?

InChIKey: WDLWAZZLUDNNIT-VAZDZVOSSA-N

How many heavy atoms are present in 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(4-(tert-butyl)-2-(3,5-dimethyladamantan-1-yl)phenol)?

Heavy Atom Count: 64

How many defined atom stereocenters are there in 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(4-(tert-butyl)-2-(3,5-dimethyladamantan-1-yl)phenol)?

Defined Atom Stereocenter Count: 2

What is the computed property XLogP3 of 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(4-(tert-butyl)-2-(3,5-dimethyladamantan-1-yl)phenol)?

Computed Properties XLogP3: 16.8

What is the depositor-supplied synonym for 6,6'-((cis-Ethane-1,2-diylbis(phenylphosphinediyl))bis(methylene))bis(4-(tert-butyl)-2-(3,5-dimethyladamantan-1-yl)phenol)?

Depositor-Supplied Synonyms: 1541178-73-7