[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane

C21H21P — CID 126680633

IUPAC[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane
SMILESCc1cc(C)cc(-c2cccc(-c3ccc(CP)cc3)c2)c1
InChIInChI=1S/C21H21P/c1-15-10-16(2)12-21(11-15)20-5-3-4-19(13-20)18-8-6-17(14-22)7-9-18/h3-13H,14,22H2,1-2H3
InChIKeyIGKGDGTYWPSJOP-UHFFFAOYSA-N
MW304.37 g/mol
LogP6.01
Rot. Bonds3

About [4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane

[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane (PubChem CID 126680633) has the molecular formula C21H21P and a molecular weight of 304.37 g/mol. Its IUPAC name is [4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane.

Molecular Properties

Compound Name[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane
PubChem CID126680633
Molecular FormulaC21H21P
Molecular Weight304.37 g/mol
Exact Mass304.14
IUPAC Name[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane
SMILESCc1cc(C)cc(-c2cccc(-c3ccc(CP)cc3)c2)c1
InChIInChI=1S/C21H21P/c1-15-10-16(2)12-21(11-15)20-5-3-4-19(13-20)18-8-6-17(14-22)7-9-18/h3-13H,14,22H2,1-2H3
InChIKeyIGKGDGTYWPSJOP-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 56.01
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

[4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane
CID 135225292
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 59552733
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473
(3-methyl-5-phenylphenyl)methylphosphane
CID 170078839
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
CID 174481520
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]-3-methylphenyl]methylphosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]-2-methylphenyl]methylphosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]phenyl]methylphosphane;[4-[5-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]phenyl]methylphosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]methylphosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-3-methylphenyl]methylphosphane
CID 162182927
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
CID 142401875
1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
CID 58892382
3-[4-(3-methylphenyl)phenyl]propylphosphane
CID 143253756
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane?
The IUPAC name of [4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane (CID 126680633) is [4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane.
What is the SMILES notation for [4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane?
The canonical SMILES for [4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane is Cc1cc(C)cc(-c2cccc(-c3ccc(CP)cc3)c2)c1.
What is the InChIKey of [4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane?
The InChIKey is IGKGDGTYWPSJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21P/c1-15-10-16(2)12-21(11-15)20-5-3-4-19(13-20)18-8-6-17(14-22)7-9-18/h3-13H,14,22H2,1-2H3.
What are the key properties of [4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane?
[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane has a molecular weight of 304.37 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane is sourced from PubChem (CID 126680633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).