5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole

C54H35N3 — CID 146540047

IUPAC5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3cc4nc(-c5ccccc5)c(-n5c6ccc(-c7ccccc7)cc6c6cc7ccccc7cc65)nc4cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H35N3/c1-5-15-36(16-6-1)38-25-27-40(28-26-38)46-34-49-50(35-45(46)39-19-9-3-10-20-39)56-54(53(55-49)41-21-11-4-12-22-41)57-51-30-29-44(37-17-7-2-8-18-37)32-47(51)48-31-42-23-13-14-24-43(42)33-52(48)57/h1-35H
InChIKeyPSFJHCQMTMZUSP-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.22
Rot. Bonds6

About 5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole

5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole (PubChem CID 146540047) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole.

Molecular Properties

Compound Name5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole
PubChem CID146540047
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3cc4nc(-c5ccccc5)c(-n5c6ccc(-c7ccccc7)cc6c6cc7ccccc7cc65)nc4cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H35N3/c1-5-15-36(16-6-1)38-25-27-40(28-26-38)46-34-49-50(35-45(46)39-19-9-3-10-20-39)56-54(53(55-49)41-21-11-4-12-22-41)57-51-30-29-44(37-17-7-2-8-18-37)32-47(51)48-31-42-23-13-14-24-43(42)33-52(48)57/h1-35H
InChIKeyPSFJHCQMTMZUSP-UHFFFAOYSA-N
XLogP14.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(4-isocyanophenyl)quinoxalin-2-yl]-2-(4-phenylphenyl)benzo[b]carbazole
CID 153485325
5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 139361945
5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole
CID 146539824
2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114403
2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole
CID 157299308
5-(7-dibenzothiophen-4-yl-3,6-diphenylquinoxalin-2-yl)-3-naphthalen-2-ylbenzo[b]carbazole;5-[3,7-diphenyl-6-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-3-phenylbenzo[b]carbazole;5-[3,6-diphenyl-7-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-3-(4-phenylphenyl)benzo[b]carbazole
CID 161023733
2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 146375178
2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole
CID 146540295
5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole
CID 139361418
5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole
CID 139361909
5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 139361845
1-(9,9-dimethylfluoren-4-yl)-5-(3-naphthalen-2-yl-6-phenylquinoxalin-2-yl)benzo[b]carbazole;5-[3-(9,9-dimethylfluoren-4-yl)-6-phenylquinoxalin-2-yl]-3-naphthalen-2-ylbenzo[b]carbazole;2-naphthalen-2-yl-5-[6-phenyl-3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 161055075

Frequently Asked Questions

What is the IUPAC name of 5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole?
The IUPAC name of 5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole (CID 146540047) is 5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole.
What is the SMILES notation for 5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole?
The canonical SMILES for 5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole is c1ccc(-c2ccc(-c3cc4nc(-c5ccccc5)c(-n5c6ccc(-c7ccccc7)cc6c6cc7ccccc7cc65)nc4cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole?
The InChIKey is PSFJHCQMTMZUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-5-15-36(16-6-1)38-25-27-40(28-26-38)46-34-49-50(35-45(46)39-19-9-3-10-20-39)56-54(53(55-49)41-21-11-4-12-22-41)57-51-30-29-44(37-17-7-2-8-18-37)32-47(51)48-31-42-23-13-14-24-43(42)33-52(48)57/h1-35H.
What are the key properties of 5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole?
5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole has a molecular weight of 725.90 g/mol, XLogP of 14.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole is sourced from PubChem (CID 146540047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).