5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline

C30H21N2OP — CID 118672860

IUPAC5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline
SMILESO=P(c1ccccc1)(c1ccc(-c2cccc3nccnc23)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C30H21N2OP/c33-34(25-9-2-1-3-10-25,27-18-13-22-7-4-5-8-24(22)21-27)26-16-14-23(15-17-26)28-11-6-12-29-30(28)32-20-19-31-29/h1-21H
InChIKeyNZKARQCUSZINIM-UHFFFAOYSA-N
MW456.49 g/mol
LogP6.09
Rot. Bonds4

About 5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline

5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline (PubChem CID 118672860) has the molecular formula C30H21N2OP and a molecular weight of 456.49 g/mol. Its IUPAC name is 5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline.

Molecular Properties

Compound Name5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline
PubChem CID118672860
Molecular FormulaC30H21N2OP
Molecular Weight456.49 g/mol
Exact Mass456.14
IUPAC Name5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline
SMILESO=P(c1ccccc1)(c1ccc(-c2cccc3nccnc23)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C30H21N2OP/c33-34(25-9-2-1-3-10-25,27-18-13-22-7-4-5-8-24(22)21-27)26-16-14-23(15-17-26)28-11-6-12-29-30(28)32-20-19-31-29/h1-21H
InChIKeyNZKARQCUSZINIM-UHFFFAOYSA-N
XLogP6.09
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982866
2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982890
5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[a]anthracene
CID 118672810
6-(4-diphenylphosphorylphenyl)quinolino[7,8-h]quinoline;12-(4-diphenylphosphorylphenyl)quinolino[8,7-h]quinoline;3-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-1,6-naphthyridine;5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]pyrido[3,2-g]quinoline;4-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]pyrimidine;5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline
CID 165098825
9-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]acridine;2-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[h]quinoline;5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[h]quinoline;7-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-g]quinoline;12-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[1,2-h]quinoline
CID 165092084
2-[3-(6-diphenylphosphorylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-diphenylphosphorylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(4-diphenylphosphorylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159382370
2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline
CID 134470905
2-[6-(6-diphenylphosphorylnaphthalen-2-yl)pyren-1-yl]-1,10-phenanthroline
CID 134470914
6-(3-diphenylphosphorylphenyl)-8-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665332
7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline
CID 122471852
2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline
CID 134470932
2-[9-(4-diphenylphosphorylphenyl)dibenzothiophen-2-yl]-1,10-phenanthroline
CID 142462478

Frequently Asked Questions

What is the IUPAC name of 5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline?
The IUPAC name of 5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline (CID 118672860) is 5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline.
What is the SMILES notation for 5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline?
The canonical SMILES for 5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline is O=P(c1ccccc1)(c1ccc(-c2cccc3nccnc23)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline?
The InChIKey is NZKARQCUSZINIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N2OP/c33-34(25-9-2-1-3-10-25,27-18-13-22-7-4-5-8-24(22)21-27)26-16-14-23(15-17-26)28-11-6-12-29-30(28)32-20-19-31-29/h1-21H.
What are the key properties of 5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline?
5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline has a molecular weight of 456.49 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline is sourced from PubChem (CID 118672860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).