2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline

C38H24N4 — CID 176785134

IUPAC2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc6nc(-c7ccccc7)c(-c7ccccc7)nc56)nc4c3n2)cc1
InChIInChI=1S/C38H24N4/c1-4-11-25(12-5-1)31-23-21-28-19-20-29-22-24-32(40-36(29)35(28)39-31)30-17-10-18-33-38(30)42-37(27-15-8-3-9-16-27)34(41-33)26-13-6-2-7-14-26/h1-24H
InChIKeyJTJFSQQSUHQNHQ-UHFFFAOYSA-N
MW536.64 g/mol
LogP9.39
Rot. Bonds4

About 2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline

2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline (PubChem CID 176785134) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline
PubChem CID176785134
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC Name2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc6nc(-c7ccccc7)c(-c7ccccc7)nc56)nc4c3n2)cc1
InChIInChI=1S/C38H24N4/c1-4-11-25(12-5-1)31-23-21-28-19-20-29-22-24-32(40-36(29)35(28)39-31)30-17-10-18-33-38(30)42-37(27-15-8-3-9-16-27)34(41-33)26-13-6-2-7-14-26/h1-24H
InChIKeyJTJFSQQSUHQNHQ-UHFFFAOYSA-N
XLogP9.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
CID 176785222
2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline
CID 176785151
2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 176785197
2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline
CID 176785086
2-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline
CID 176785200
2-phenyl-9-[4-[2-[2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010512
2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline
CID 129265651
2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline
CID 171732288
22-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 146230955
2-[4-(6-phenanthridin-6-yl-2-pyridinyl)phenyl]-9-phenyl-1,10-phenanthroline
CID 171832717
5-(4-naphthalen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 146334552
2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725024

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline?
The IUPAC name of 2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline (CID 176785134) is 2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5cccc6nc(-c7ccccc7)c(-c7ccccc7)nc56)nc4c3n2)cc1.
What is the InChIKey of 2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline?
The InChIKey is JTJFSQQSUHQNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c1-4-11-25(12-5-1)31-23-21-28-19-20-29-22-24-32(40-36(29)35(28)39-31)30-17-10-18-33-38(30)42-37(27-15-8-3-9-16-27)34(41-33)26-13-6-2-7-14-26/h1-24H.
What are the key properties of 2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline?
2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline has a molecular weight of 536.64 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 176785134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).