[4-[4-methyl-2-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-diphenylphosphane

C33H27N2P — CID 22153302

IUPAC[4-[4-methyl-2-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-diphenylphosphane
SMILESCc1ccc(-c2ccc(P(c3ccccc3)c3ccccc3)cc2)c(-c2nc3ccccc3n2C)c1
InChIInChI=1S/C33H27N2P/c1-24-17-22-29(30(23-24)33-34-31-15-9-10-16-32(31)35(33)2)25-18-20-28(21-19-25)36(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-23H,1-2H3
InChIKeyKHQXJBVXBGTNHW-UHFFFAOYSA-N
MW482.57 g/mol
LogP6.97
Rot. Bonds5

About [4-[4-methyl-2-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-diphenylphosphane

[4-[4-methyl-2-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-diphenylphosphane (PubChem CID 22153302) has the molecular formula C33H27N2P and a molecular weight of 482.57 g/mol. Its IUPAC name is [4-[4-methyl-2-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-[4-methyl-2-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-diphenylphosphane
PubChem CID22153302
Molecular FormulaC33H27N2P
Molecular Weight482.57 g/mol
Exact Mass482.19
IUPAC Name[4-[4-methyl-2-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-diphenylphosphane
SMILESCc1ccc(-c2ccc(P(c3ccccc3)c3ccccc3)cc2)c(-c2nc3ccccc3n2C)c1
InChIInChI=1S/C33H27N2P/c1-24-17-22-29(30(23-24)33-34-31-15-9-10-16-32(31)35(33)2)25-18-20-28(21-19-25)36(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-23H,1-2H3
InChIKeyKHQXJBVXBGTNHW-UHFFFAOYSA-N
XLogP6.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.57
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[4-methyl-2-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-diphenylphosphane?
The IUPAC name of [4-[4-methyl-2-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-diphenylphosphane (CID 22153302) is [4-[4-methyl-2-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [4-[4-methyl-2-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-diphenylphosphane?
The canonical SMILES for [4-[4-methyl-2-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-diphenylphosphane is Cc1ccc(-c2ccc(P(c3ccccc3)c3ccccc3)cc2)c(-c2nc3ccccc3n2C)c1.
What is the InChIKey of [4-[4-methyl-2-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-diphenylphosphane?
The InChIKey is KHQXJBVXBGTNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N2P/c1-24-17-22-29(30(23-24)33-34-31-15-9-10-16-32(31)35(33)2)25-18-20-28(21-19-25)36(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-23H,1-2H3.
What are the key properties of [4-[4-methyl-2-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-diphenylphosphane?
[4-[4-methyl-2-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-diphenylphosphane has a molecular weight of 482.57 g/mol, XLogP of 6.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-methyl-2-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 22153302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).