5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline

C36H25N2OP — CID 118633176

IUPAC5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2c3cccnc3c(-c3ccccc3)c3cccnc23)cc1
InChIInChI=1S/C36H25N2OP/c39-40(28-14-6-2-7-15-28,29-16-8-3-9-17-29)30-22-20-27(21-23-30)34-32-19-11-24-37-35(32)33(26-12-4-1-5-13-26)31-18-10-25-38-36(31)34/h1-25H
InChIKeyZEYWQXSLRQIYER-UHFFFAOYSA-N
MW532.58 g/mol
LogP7.76
Rot. Bonds5

About 5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline

5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline (PubChem CID 118633176) has the molecular formula C36H25N2OP and a molecular weight of 532.58 g/mol. Its IUPAC name is 5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline.

Molecular Properties

Compound Name5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline
PubChem CID118633176
Molecular FormulaC36H25N2OP
Molecular Weight532.58 g/mol
Exact Mass532.17
IUPAC Name5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2c3cccnc3c(-c3ccccc3)c3cccnc23)cc1
InChIInChI=1S/C36H25N2OP/c39-40(28-14-6-2-7-15-28,29-16-8-3-9-17-29)30-22-20-27(21-23-30)34-32-19-11-24-37-35(32)33(26-12-4-1-5-13-26)31-18-10-25-38-36(31)34/h1-25H
InChIKeyZEYWQXSLRQIYER-UHFFFAOYSA-N
XLogP7.76
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.58
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061
10-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]benzo[g]quinoline
CID 59184028
10-phenyl-5-[3-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline
CID 59183400
2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline
CID 134470904
10-phenyl-5-(2-phenylphenyl)benzo[g]quinoline
CID 59183732
3-(4-diphenylphosphorylphenyl)pyridine
CID 118672824
10-phenyl-5-(3,4,5-trimethylphenyl)benzo[g]quinoline
CID 59183543
5,10-bis(4-fluorophenyl)benzo[g]quinoline
CID 59183532
2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969
10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline
CID 122471916
2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline
CID 134470932
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161

Frequently Asked Questions

What is the IUPAC name of 5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline?
The IUPAC name of 5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline (CID 118633176) is 5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline.
What is the SMILES notation for 5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline?
The canonical SMILES for 5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2c3cccnc3c(-c3ccccc3)c3cccnc23)cc1.
What is the InChIKey of 5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline?
The InChIKey is ZEYWQXSLRQIYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N2OP/c39-40(28-14-6-2-7-15-28,29-16-8-3-9-17-29)30-22-20-27(21-23-30)34-32-19-11-24-37-35(32)33(26-12-4-1-5-13-26)31-18-10-25-38-36(31)34/h1-25H.
What are the key properties of 5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline?
5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline has a molecular weight of 532.58 g/mol, XLogP of 7.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline is sourced from PubChem (CID 118633176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).