[3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane

C28H27P — CID 151240435

IUPAC[3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)cc2)c2cccc(C)c2-c2ccccc2C)cc1
InChIInChI=1S/C28H27P/c1-20-12-16-24(17-13-20)29(25-18-14-21(2)15-19-25)27-11-7-9-23(4)28(27)26-10-6-5-8-22(26)3/h5-19H,1-4H3
InChIKeyNQEOIEUFEPEDPU-UHFFFAOYSA-N
MW394.50 g/mol
LogP6.35
Rot. Bonds4

About [3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane

[3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane (PubChem CID 151240435) has the molecular formula C28H27P and a molecular weight of 394.50 g/mol. Its IUPAC name is [3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane.

Molecular Properties

Compound Name[3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane
PubChem CID151240435
Molecular FormulaC28H27P
Molecular Weight394.50 g/mol
Exact Mass394.19
IUPAC Name[3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)cc2)c2cccc(C)c2-c2ccccc2C)cc1
InChIInChI=1S/C28H27P/c1-20-12-16-24(17-13-20)29(25-18-14-21(2)15-19-25)27-11-7-9-23(4)28(27)26-10-6-5-8-22(26)3/h5-19H,1-4H3
InChIKeyNQEOIEUFEPEDPU-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 56.35
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 [3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane?
The IUPAC name of [3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane (CID 151240435) is [3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane.
What is the SMILES notation for [3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane?
The canonical SMILES for [3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane is Cc1ccc(P(c2ccc(C)cc2)c2cccc(C)c2-c2ccccc2C)cc1.
What is the InChIKey of [3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane?
The InChIKey is NQEOIEUFEPEDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27P/c1-20-12-16-24(17-13-20)29(25-18-14-21(2)15-19-25)27-11-7-9-23(4)28(27)26-10-6-5-8-22(26)3/h5-19H,1-4H3.
What are the key properties of [3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane?
[3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane has a molecular weight of 394.50 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane is sourced from PubChem (CID 151240435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).