[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane

C42H40P2 — CID 10282339

IUPAC[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane
SMILESCc1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C42H40P2/c1-29-27-39(43(35-19-11-7-12-20-35)36-21-13-8-14-22-36)41(33(5)31(29)3)42-34(6)32(4)30(2)28-40(42)44(37-23-15-9-16-24-37)38-25-17-10-18-26-38/h7-28H,1-6H3
InChIKeyYFTPWWOBSWZADV-UHFFFAOYSA-N
MW606.73 g/mol
LogP8.72
Rot. Bonds7

About [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane

[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane (PubChem CID 10282339) has the molecular formula C42H40P2 and a molecular weight of 606.73 g/mol. Its IUPAC name is [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane
PubChem CID10282339
Molecular FormulaC42H40P2
Molecular Weight606.73 g/mol
Exact Mass606.26
IUPAC Name[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane
SMILESCc1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C42H40P2/c1-29-27-39(43(35-19-11-7-12-20-35)36-21-13-8-14-22-36)41(33(5)31(29)3)42-34(6)32(4)30(2)28-40(42)44(37-23-15-9-16-24-37)38-25-17-10-18-26-38/h7-28H,1-6H3
InChIKeyYFTPWWOBSWZADV-UHFFFAOYSA-N
XLogP8.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.73
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane;ruthenium;bis(2,2,2-trifluoroacetic acid)
CID 11982227
dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane
CID 58152982
phenyl-bis(2,3,4-trimethylphenyl)phosphane
CID 19817893
4-[4-(dimethylamino)-2-diphenylphosphanyl-6-methylphenyl]-3-diphenylphosphanyl-N,N,5-trimethylaniline
CID 14113209
(4-chloro-2-methylphenyl)-diphenylphosphane
CID 100913649
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane
CID 91183507
bis(2,4-dimethylphenyl)-phenylphosphane
CID 12046948
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
methane;palladium;triphenylphosphane
CID 90407786
ethane;triphenylphosphane
CID 90942156
(5-diphenylphosphanyl-1,2-dimethyl-9H-xanthen-4-yl)-diphenylphosphane
CID 87058834

Frequently Asked Questions

What is the IUPAC name of [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane?
The IUPAC name of [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane (CID 10282339) is [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane.
What is the SMILES notation for [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane?
The canonical SMILES for [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane is Cc1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc(C)c(C)c2C)c(C)c1C.
What is the InChIKey of [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane?
The InChIKey is YFTPWWOBSWZADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40P2/c1-29-27-39(43(35-19-11-7-12-20-35)36-21-13-8-14-22-36)41(33(5)31(29)3)42-34(6)32(4)30(2)28-40(42)44(37-23-15-9-16-24-37)38-25-17-10-18-26-38/h7-28H,1-6H3.
What are the key properties of [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane?
[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane has a molecular weight of 606.73 g/mol, XLogP of 8.72, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane is sourced from PubChem (CID 10282339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).