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

C21H23P3 — CID 129088137

IUPAC[4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-3-methylphenyl]phosphane
SMILESCc1cc(P)ccc1-c1cccc(-c2cc(CP)cc(CP)c2)c1
InChIInChI=1S/C21H23P3/c1-14-7-20(24)5-6-21(14)18-4-2-3-17(11-18)19-9-15(12-22)8-16(10-19)13-23/h2-11H,12-13,22-24H2,1H3
InChIKeyVYFZQEADEDLMBI-UHFFFAOYSA-N
MW368.34 g/mol
LogP5.58
Rot. Bonds4

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

[4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-3-methylphenyl]phosphane (PubChem CID 129088137) 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]-3-methylphenyl]phosphane.

Molecular Properties

Compound Name[4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-3-methylphenyl]phosphane
PubChem CID129088137
Molecular FormulaC21H23P3
Molecular Weight368.34 g/mol
Exact Mass368.10
IUPAC Name[4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-3-methylphenyl]phosphane
SMILESCc1cc(P)ccc1-c1cccc(-c2cc(CP)cc(CP)c2)c1
InChIInChI=1S/C21H23P3/c1-14-7-20(24)5-6-21(14)18-4-2-3-17(11-18)19-9-15(12-22)8-16(10-19)13-23/h2-11H,12-13,22-24H2,1H3
InChIKeyVYFZQEADEDLMBI-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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Frequently Asked Questions

What is the IUPAC name of [4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-3-methylphenyl]phosphane?
The IUPAC name of [4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-3-methylphenyl]phosphane (CID 129088137) is [4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-3-methylphenyl]phosphane.
What is the SMILES notation for [4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-3-methylphenyl]phosphane?
The canonical SMILES for [4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-3-methylphenyl]phosphane is Cc1cc(P)ccc1-c1cccc(-c2cc(CP)cc(CP)c2)c1.
What is the InChIKey of [4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-3-methylphenyl]phosphane?
The InChIKey is VYFZQEADEDLMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23P3/c1-14-7-20(24)5-6-21(14)18-4-2-3-17(11-18)19-9-15(12-22)8-16(10-19)13-23/h2-11H,12-13,22-24H2,1H3.
What are the key properties of [4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-3-methylphenyl]phosphane?
[4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-3-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]-3-methylphenyl]phosphane is sourced from PubChem (CID 129088137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).