phenyl-bis(2,3,4-trimethylphenyl)phosphane

C24H27P — CID 19817893

IUPACphenyl-bis(2,3,4-trimethylphenyl)phosphane
SMILESCc1ccc(P(c2ccccc2)c2ccc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C24H27P/c1-16-12-14-23(20(5)18(16)3)25(22-10-8-7-9-11-22)24-15-13-17(2)19(4)21(24)6/h7-15H,1-6H3
InChIKeyOHUBTNCFAYBUKT-UHFFFAOYSA-N
MW346.45 g/mol
LogP5.30
Rot. Bonds3

About phenyl-bis(2,3,4-trimethylphenyl)phosphane

phenyl-bis(2,3,4-trimethylphenyl)phosphane (PubChem CID 19817893) has the molecular formula C24H27P and a molecular weight of 346.45 g/mol. Its IUPAC name is phenyl-bis(2,3,4-trimethylphenyl)phosphane.

Molecular Properties

Compound Namephenyl-bis(2,3,4-trimethylphenyl)phosphane
PubChem CID19817893
Molecular FormulaC24H27P
Molecular Weight346.45 g/mol
Exact Mass346.19
IUPAC Namephenyl-bis(2,3,4-trimethylphenyl)phosphane
SMILESCc1ccc(P(c2ccccc2)c2ccc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C24H27P/c1-16-12-14-23(20(5)18(16)3)25(22-10-8-7-9-11-22)24-15-13-17(2)19(4)21(24)6/h7-15H,1-6H3
InChIKeyOHUBTNCFAYBUKT-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-bis(2,3,4-trimethylphenyl)phosphane?
The IUPAC name of phenyl-bis(2,3,4-trimethylphenyl)phosphane (CID 19817893) is phenyl-bis(2,3,4-trimethylphenyl)phosphane.
What is the SMILES notation for phenyl-bis(2,3,4-trimethylphenyl)phosphane?
The canonical SMILES for phenyl-bis(2,3,4-trimethylphenyl)phosphane is Cc1ccc(P(c2ccccc2)c2ccc(C)c(C)c2C)c(C)c1C.
What is the InChIKey of phenyl-bis(2,3,4-trimethylphenyl)phosphane?
The InChIKey is OHUBTNCFAYBUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27P/c1-16-12-14-23(20(5)18(16)3)25(22-10-8-7-9-11-22)24-15-13-17(2)19(4)21(24)6/h7-15H,1-6H3.
What are the key properties of phenyl-bis(2,3,4-trimethylphenyl)phosphane?
phenyl-bis(2,3,4-trimethylphenyl)phosphane has a molecular weight of 346.45 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-bis(2,3,4-trimethylphenyl)phosphane is sourced from PubChem (CID 19817893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).