[4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane

C21H23P3 — CID 129088140

IUPAC[4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane
SMILESCc1cc(-c2cccc(-c3cc(CP)cc(CP)c3)c2)ccc1P
InChIInChI=1S/C21H23P3/c1-14-7-19(5-6-21(14)24)17-3-2-4-18(11-17)20-9-15(12-22)8-16(10-20)13-23/h2-11H,12-13,22-24H2,1H3
InChIKeyBIDJXGXMMFTXNZ-UHFFFAOYSA-N
MW368.34 g/mol
LogP5.58
Rot. Bonds4

About [4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane

[4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane (PubChem CID 129088140) has the molecular formula C21H23P3 and a molecular weight of 368.34 g/mol. Its IUPAC name is [4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane.

Molecular Properties

Compound Name[4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane
PubChem CID129088140
Molecular FormulaC21H23P3
Molecular Weight368.34 g/mol
Exact Mass368.10
IUPAC Name[4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane
SMILESCc1cc(-c2cccc(-c3cc(CP)cc(CP)c3)c2)ccc1P
InChIInChI=1S/C21H23P3/c1-14-7-19(5-6-21(14)24)17-3-2-4-18(11-17)20-9-15(12-22)8-16(10-20)13-23/h2-11H,12-13,22-24H2,1H3
InChIKeyBIDJXGXMMFTXNZ-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.34
LogP ≤ 55.58
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-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-3-methylphenyl]phosphane
CID 129088137
[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane
CID 126680633
[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]-2-methylphenyl]methylphosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]phenyl]methylphosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]phenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-3-methylphenyl]phosphane
CID 158904995
(3-methyl-5-phenylphenyl)methylphosphane
CID 170078839
[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane
CID 161047242
[4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane
CID 135225292
[2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane
CID 160800669
[4-[4-(3,4-dimethylphenyl)-3-methylphenyl]phenyl]phosphane;[4-[4-(3,4-dimethylphenyl)phenyl]-2-methylphenyl]phosphane;[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]phosphane;[4-[3-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane;[2-methyl-4-[4-[3-methyl-4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane;[3-methyl-4-[4-[2-methyl-4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane;[3-methyl-4-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane
CID 158779999
4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol
CID 21020641
5-[3-[3,5-bis[3-(6-methyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methylpyridine
CID 59412018
[4-[4-(3,4-dimethylphenyl)-3-methylphenyl]phenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[4-[4-(3,4-dimethylphenyl)phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]phenyl]phosphane;[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]phosphane;[4-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane;[4-[3-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane;[2-methyl-4-[4-[3-methyl-4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane;[3-methyl-4-[4-[2-methyl-4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane;[2-methyl-4-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane;[3-methyl-4-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane
CID 158130449
[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

Frequently Asked Questions

What is the IUPAC name of [4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane?
The IUPAC name of [4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane (CID 129088140) is [4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane.
What is the SMILES notation for [4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane?
The canonical SMILES for [4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane is Cc1cc(-c2cccc(-c3cc(CP)cc(CP)c3)c2)ccc1P.
What is the InChIKey of [4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane?
The InChIKey is BIDJXGXMMFTXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23P3/c1-14-7-19(5-6-21(14)24)17-3-2-4-18(11-17)20-9-15(12-22)8-16(10-20)13-23/h2-11H,12-13,22-24H2,1H3.
What are the key properties of [4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane?
[4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane has a molecular weight of 368.34 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane is sourced from PubChem (CID 129088140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).