(S)-2,2'-Bis[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxy)-1,1'-biphenyl

Catalog Number	ACM1365531947
CAS	1365531-94-7
Structure
Synonyms	(S)-DMM-Garphos; (S)-(4,4',6,6'-Tetramethoxybiphenyl-2,2'-diyl)bis[bis(4-methoxy-3,5-dimethylphenyl)phosphine]
IUPAC Name	[2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
Molecular Weight	874.98
Molecular Formula	C52H60O8P2
InChI	PKHREKHNGLJKHV-UHFFFAOYSA-N
InChI Key	InChI=1S/C52H60O8P2/c1-29-17-39(18-30(2)49(29)57-13)61(40-19-31(3)50(58-14)32(4)20-40)45-27-37(53-9)25-43(55-11)47(45)48-44(56-12)26-38(54-10)28-46(48)62(41-21-33(5)51(59-15)34(6)22-41)42-23-35(7)52(60-16)36(8)24-42/h17-28H,1-16H3
Boiling Point	865.4±65.0 °C(Predicted)
Purity	98%
Appearance	Solid
Isomeric SMILES	CC1=CC(=CC(=C1OC)C)P(C2=CC(=C(C(=C2)C)OC)C)C3=CC(=CC(=C3C4=C(C=C(C=C4P(C5=CC(=C(C(=C5)C)OC)C)C6=CC(=C(C(=C6)C)OC)C)OC)OC)OC)OC

Q&A

What is the molecular weight of (S)-2,2'-Bis[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxy)-1,1'-biphenyl?

The molecular weight is 875.0g/mol.

What is the IUPAC Name of (S)-2,2'-Bis[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxy)-1,1'-biphenyl?

The IUPAC Name is [2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane.

What is the Canonical SMILES representation of (S)-2,2'-Bis[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxy)-1,1'-biphenyl?

The Canonical SMILES is CC1=CC(=CC(=C1OC)C)P(C2=CC(=C(C(=C2)C)OC)C)C3=CC(=CC(=C3C4=C(C=C(C=C4P(C5=CC(=C(C(=C5)C)OC)C)C6=CC(=C(C(=C6)C)OC)C)OC)OC)OC)OC.

How many rotatable bonds are in (S)-2,2'-Bis[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxy)-1,1'-biphenyl?

There are 15 rotatable bonds.

What is the XLogP3 value for (S)-2,2'-Bis[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxy)-1,1'-biphenyl?

The XLogP3 value is 11.6.

What is the exact mass of (S)-2,2'-Bis[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxy)-1,1'-biphenyl?

The exact mass is 874.37634286.

How many heavy atoms are present in the structure of (S)-2,2'-Bis[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxy)-1,1'-biphenyl?

There are 62 heavy atoms.

What are some depositor-supplied synonyms for (S)-2,2'-Bis[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxy)-1,1'-biphenyl?

Some synonyms include MFCD19443626, SCHEMBL457923, and 1870892-15-1.

What is the Topological Polar Surface Area for (S)-2,2'-Bis[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxy)-1,1'-biphenyl?

The Topological Polar Surface Area is 73.8.

What is the InChIKey for (S)-2,2'-Bis[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxy)-1,1'-biphenyl?

The InChIKey is PKHREKHNGLJKHV-UHFFFAOYSA-N.