3-diphenylphosphoryl-4-phenylquinoline

C27H20NOP — CID 177449256

IUPAC3-diphenylphosphoryl-4-phenylquinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C27H20NOP/c29-30(22-14-6-2-7-15-22,23-16-8-3-9-17-23)26-20-28-25-19-11-10-18-24(25)27(26)21-12-4-1-5-13-21/h1-20H
InChIKeyLNUVETPYZGOAQD-UHFFFAOYSA-N
MW405.44 g/mol
LogP5.54
Rot. Bonds4

About 3-diphenylphosphoryl-4-phenylquinoline

3-diphenylphosphoryl-4-phenylquinoline (PubChem CID 177449256) has the molecular formula C27H20NOP and a molecular weight of 405.44 g/mol. Its IUPAC name is 3-diphenylphosphoryl-4-phenylquinoline.

Molecular Properties

Compound Name3-diphenylphosphoryl-4-phenylquinoline
PubChem CID177449256
Molecular FormulaC27H20NOP
Molecular Weight405.44 g/mol
Exact Mass405.13
IUPAC Name3-diphenylphosphoryl-4-phenylquinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C27H20NOP/c29-30(22-14-6-2-7-15-22,23-16-8-3-9-17-23)26-20-28-25-19-11-10-18-24(25)27(26)21-12-4-1-5-13-21/h1-20H
InChIKeyLNUVETPYZGOAQD-UHFFFAOYSA-N
XLogP5.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.44
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(3-diphenylphosphorylphenyl)acridine
CID 146204114
bis(3,4-diphenylquinoline);hydrate
CID 139201276
9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061
3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline
CID 118672844
5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline
CID 118633176
7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline
CID 145179941
(2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone
CID 135033358
12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine
CID 59183703
7-(3-diphenylphosphorylphenyl)benzo[c]acridine
CID 146203985
2-diphenylphosphorylphenol
CID 626229
2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969
1-diphenylphosphorylnaphthalene
CID 11023927

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphoryl-4-phenylquinoline?
The IUPAC name of 3-diphenylphosphoryl-4-phenylquinoline (CID 177449256) is 3-diphenylphosphoryl-4-phenylquinoline.
What is the SMILES notation for 3-diphenylphosphoryl-4-phenylquinoline?
The canonical SMILES for 3-diphenylphosphoryl-4-phenylquinoline is O=P(c1ccccc1)(c1ccccc1)c1cnc2ccccc2c1-c1ccccc1.
What is the InChIKey of 3-diphenylphosphoryl-4-phenylquinoline?
The InChIKey is LNUVETPYZGOAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20NOP/c29-30(22-14-6-2-7-15-22,23-16-8-3-9-17-23)26-20-28-25-19-11-10-18-24(25)27(26)21-12-4-1-5-13-21/h1-20H.
What are the key properties of 3-diphenylphosphoryl-4-phenylquinoline?
3-diphenylphosphoryl-4-phenylquinoline has a molecular weight of 405.44 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphoryl-4-phenylquinoline is sourced from PubChem (CID 177449256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).