[4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane

C21H22P2 — CID 135225292

IUPAC[4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane
SMILESCc1cc(-c2ccc(CP)cc2)cc(-c2ccc(CP)cc2)c1
InChIInChI=1S/C21H22P2/c1-15-10-20(18-6-2-16(13-22)3-7-18)12-21(11-15)19-8-4-17(14-23)5-9-19/h2-12H,13-14,22-23H2,1H3
InChIKeyPEODGOPGOCNIMB-UHFFFAOYSA-N
MW336.36 g/mol
LogP6.08
Rot. Bonds4

About [4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane

[4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane (PubChem CID 135225292) has the molecular formula C21H22P2 and a molecular weight of 336.36 g/mol. Its IUPAC name is [4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane.

Molecular Properties

Compound Name[4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane
PubChem CID135225292
Molecular FormulaC21H22P2
Molecular Weight336.36 g/mol
Exact Mass336.12
IUPAC Name[4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane
SMILESCc1cc(-c2ccc(CP)cc2)cc(-c2ccc(CP)cc2)c1
InChIInChI=1S/C21H22P2/c1-15-10-20(18-6-2-16(13-22)3-7-18)12-21(11-15)19-8-4-17(14-23)5-9-19/h2-12H,13-14,22-23H2,1H3
InChIKeyPEODGOPGOCNIMB-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.36
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane?
The IUPAC name of [4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane (CID 135225292) is [4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane.
What is the SMILES notation for [4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane?
The canonical SMILES for [4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane is Cc1cc(-c2ccc(CP)cc2)cc(-c2ccc(CP)cc2)c1.
What is the InChIKey of [4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane?
The InChIKey is PEODGOPGOCNIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22P2/c1-15-10-20(18-6-2-16(13-22)3-7-18)12-21(11-15)19-8-4-17(14-23)5-9-19/h2-12H,13-14,22-23H2,1H3.
What are the key properties of [4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane?
[4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane has a molecular weight of 336.36 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane is sourced from PubChem (CID 135225292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).