3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline

C31H22NOP — CID 118672844

IUPAC3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline
SMILESO=P(c1ccccc1)(c1ccc(-c2cnc3ccccc3c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C31H22NOP/c33-34(27-12-2-1-3-13-27,31-16-8-11-24-9-4-6-14-29(24)31)28-19-17-23(18-20-28)26-21-25-10-5-7-15-30(25)32-22-26/h1-22H
InChIKeyGJLPEADJGLFFBH-UHFFFAOYSA-N
MW455.50 g/mol
LogP6.69
Rot. Bonds4

About 3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline

3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline (PubChem CID 118672844) has the molecular formula C31H22NOP and a molecular weight of 455.50 g/mol. Its IUPAC name is 3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline.

Molecular Properties

Compound Name3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline
PubChem CID118672844
Molecular FormulaC31H22NOP
Molecular Weight455.50 g/mol
Exact Mass455.14
IUPAC Name3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline
SMILESO=P(c1ccccc1)(c1ccc(-c2cnc3ccccc3c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C31H22NOP/c33-34(27-12-2-1-3-13-27,31-16-8-11-24-9-4-6-14-29(24)31)28-19-17-23(18-20-28)26-21-25-10-5-7-15-30(25)32-22-26/h1-22H
InChIKeyGJLPEADJGLFFBH-UHFFFAOYSA-N
XLogP6.69
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.50
LogP ≤ 56.69
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

1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
1-diphenylphosphorylnaphthalene
CID 11023927
2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901903
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 159396238
7-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-g]quinoline;6-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-h]quinoline;12-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[1,2-h]quinoline;4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]pyridine;3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline
CID 165025099
3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322558
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
1,5-bis(diphenylphosphoryl)anthracene
CID 88535905
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402315
1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 88865123

Frequently Asked Questions

What is the IUPAC name of 3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline?
The IUPAC name of 3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline (CID 118672844) is 3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline.
What is the SMILES notation for 3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline?
The canonical SMILES for 3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline is O=P(c1ccccc1)(c1ccc(-c2cnc3ccccc3c2)cc1)c1cccc2ccccc12.
What is the InChIKey of 3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline?
The InChIKey is GJLPEADJGLFFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22NOP/c33-34(27-12-2-1-3-13-27,31-16-8-11-24-9-4-6-14-29(24)31)28-19-17-23(18-20-28)26-21-25-10-5-7-15-30(25)32-22-26/h1-22H.
What are the key properties of 3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline?
3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline has a molecular weight of 455.50 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline is sourced from PubChem (CID 118672844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).