[4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane

C43H30NP — CID 166569018

IUPAC[4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(ccc4c(-c5ccc(P(c6ccccc6)c6ccccc6)cc5)cccc43)n2)cc1
InChIInChI=1S/C43H30NP/c1-5-14-31(15-6-1)40-30-42(33-16-7-2-8-17-33)44-41-29-28-38-37(22-13-23-39(38)43(40)41)32-24-26-36(27-25-32)45(34-18-9-3-10-19-34)35-20-11-4-12-21-35/h1-30H
InChIKeyPOKJMNHATBAVAM-UHFFFAOYSA-N
MW591.69 g/mol
LogP10.15
Rot. Bonds6

About [4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane

[4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane (PubChem CID 166569018) has the molecular formula C43H30NP and a molecular weight of 591.69 g/mol. Its IUPAC name is [4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane
PubChem CID166569018
Molecular FormulaC43H30NP
Molecular Weight591.69 g/mol
Exact Mass591.21
IUPAC Name[4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(ccc4c(-c5ccc(P(c6ccccc6)c6ccccc6)cc5)cccc43)n2)cc1
InChIInChI=1S/C43H30NP/c1-5-14-31(15-6-1)40-30-42(33-16-7-2-8-17-33)44-41-29-28-38-37(22-13-23-39(38)43(40)41)32-24-26-36(27-25-32)45(34-18-9-3-10-19-34)35-20-11-4-12-21-35/h1-30H
InChIKeyPOKJMNHATBAVAM-UHFFFAOYSA-N
XLogP10.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.69
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline
CID 166569266
7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569171
7-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569134
1,3-diphenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[f]quinoline
CID 166569175
1,3-diphenyl-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[f]quinoline
CID 166568942
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569017
1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline
CID 166568688
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-naphthalen-2-yl-3-phenylbenzo[f]quinoline
CID 166569182
7-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569102
7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline
CID 166568805
6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569122
6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568781

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane?
The IUPAC name of [4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane (CID 166569018) is [4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane.
What is the SMILES notation for [4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane?
The canonical SMILES for [4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane is c1ccc(-c2cc(-c3ccccc3)c3c(ccc4c(-c5ccc(P(c6ccccc6)c6ccccc6)cc5)cccc43)n2)cc1.
What is the InChIKey of [4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane?
The InChIKey is POKJMNHATBAVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30NP/c1-5-14-31(15-6-1)40-30-42(33-16-7-2-8-17-33)44-41-29-28-38-37(22-13-23-39(38)43(40)41)32-24-26-36(27-25-32)45(34-18-9-3-10-19-34)35-20-11-4-12-21-35/h1-30H.
What are the key properties of [4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane?
[4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane has a molecular weight of 591.69 g/mol, XLogP of 10.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane is sourced from PubChem (CID 166569018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).