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

C40H36P2 — CID 141195857

IUPAC[2-(2,4-dimethylphenyl)-6-diphenylphosphanyl-3,5-dimethylphenyl]-diphenylphosphane
SMILESCc1ccc(-c2c(C)cc(C)c(P(c3ccccc3)c3ccccc3)c2P(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C40H36P2/c1-29-25-26-37(30(2)27-29)38-31(3)28-32(4)39(41(33-17-9-5-10-18-33)34-19-11-6-12-20-34)40(38)42(35-21-13-7-14-22-35)36-23-15-8-16-24-36/h5-28H,1-4H3
InChIKeyKZDICURWIQCHOQ-UHFFFAOYSA-N
MW578.68 g/mol
LogP8.10
Rot. Bonds7

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

[2-(2,4-dimethylphenyl)-6-diphenylphosphanyl-3,5-dimethylphenyl]-diphenylphosphane (PubChem CID 141195857) has the molecular formula C40H36P2 and a molecular weight of 578.68 g/mol. Its IUPAC name is [2-(2,4-dimethylphenyl)-6-diphenylphosphanyl-3,5-dimethylphenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(2,4-dimethylphenyl)-6-diphenylphosphanyl-3,5-dimethylphenyl]-diphenylphosphane
PubChem CID141195857
Molecular FormulaC40H36P2
Molecular Weight578.68 g/mol
Exact Mass578.23
IUPAC Name[2-(2,4-dimethylphenyl)-6-diphenylphosphanyl-3,5-dimethylphenyl]-diphenylphosphane
SMILESCc1ccc(-c2c(C)cc(C)c(P(c3ccccc3)c3ccccc3)c2P(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C40H36P2/c1-29-25-26-37(30(2)27-29)38-31(3)28-32(4)39(41(33-17-9-5-10-18-33)34-19-11-6-12-20-34)40(38)42(35-21-13-7-14-22-35)36-23-15-8-16-24-36/h5-28H,1-4H3
InChIKeyKZDICURWIQCHOQ-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.68
LogP ≤ 58.10
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

1-(2,4-dimethylphenyl)-2,4-dimethylnaphthalene
CID 143438685
bis(2,4-dimethylphenyl)-phenylphosphane
CID 12046948
2-(2,4-dimethylphenyl)-3-phenylcycloprop-2-en-1-one
CID 12708779
(4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane
CID 141372825
1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene
CID 90996196
1-(2,4-dimethylphenyl)-3,5-diphenylbenzene
CID 20766179
2-[3-(2,4-dimethylphenyl)-2,4,6-trimethylphenyl]-1,5-dimethylpyridin-1-ium
CID 140944352
10-(2,4-dimethylphenyl)-1,3-dimethylanthracene
CID 44551760
1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene
CID 146407762
benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane
CID 91019854
3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335592
4-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
CID 82092793

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenyl)-6-diphenylphosphanyl-3,5-dimethylphenyl]-diphenylphosphane?
The IUPAC name of [2-(2,4-dimethylphenyl)-6-diphenylphosphanyl-3,5-dimethylphenyl]-diphenylphosphane (CID 141195857) is [2-(2,4-dimethylphenyl)-6-diphenylphosphanyl-3,5-dimethylphenyl]-diphenylphosphane.
What is the SMILES notation for [2-(2,4-dimethylphenyl)-6-diphenylphosphanyl-3,5-dimethylphenyl]-diphenylphosphane?
The canonical SMILES for [2-(2,4-dimethylphenyl)-6-diphenylphosphanyl-3,5-dimethylphenyl]-diphenylphosphane is Cc1ccc(-c2c(C)cc(C)c(P(c3ccccc3)c3ccccc3)c2P(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylphenyl)-6-diphenylphosphanyl-3,5-dimethylphenyl]-diphenylphosphane?
The InChIKey is KZDICURWIQCHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36P2/c1-29-25-26-37(30(2)27-29)38-31(3)28-32(4)39(41(33-17-9-5-10-18-33)34-19-11-6-12-20-34)40(38)42(35-21-13-7-14-22-35)36-23-15-8-16-24-36/h5-28H,1-4H3.
What are the key properties of [2-(2,4-dimethylphenyl)-6-diphenylphosphanyl-3,5-dimethylphenyl]-diphenylphosphane?
[2-(2,4-dimethylphenyl)-6-diphenylphosphanyl-3,5-dimethylphenyl]-diphenylphosphane has a molecular weight of 578.68 g/mol, XLogP of 8.10, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylphenyl)-6-diphenylphosphanyl-3,5-dimethylphenyl]-diphenylphosphane is sourced from PubChem (CID 141195857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).