5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole

C39H24N4 — CID 139361992

IUPAC5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2ccccc2nc1-c1ccc(-c2cccc3cccnc23)cc1
InChIInChI=1S/C39H24N4/c1-2-10-29-24-36-32(23-28(29)9-1)31-13-3-6-17-35(31)43(36)39-38(41-33-15-4-5-16-34(33)42-39)27-20-18-25(19-21-27)30-14-7-11-26-12-8-22-40-37(26)30/h1-24H
InChIKeyKGRZWHAMEVUUKB-UHFFFAOYSA-N
MW548.65 g/mol
LogP9.76
Rot. Bonds3

About 5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole

5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole (PubChem CID 139361992) has the molecular formula C39H24N4 and a molecular weight of 548.65 g/mol. Its IUPAC name is 5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole
PubChem CID139361992
Molecular FormulaC39H24N4
Molecular Weight548.65 g/mol
Exact Mass548.20
IUPAC Name5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2ccccc2nc1-c1ccc(-c2cccc3cccnc23)cc1
InChIInChI=1S/C39H24N4/c1-2-10-29-24-36-32(23-28(29)9-1)31-13-3-6-17-35(31)43(36)39-38(41-33-15-4-5-16-34(33)42-39)27-20-18-25(19-21-27)30-14-7-11-26-12-8-22-40-37(26)30/h1-24H
InChIKeyKGRZWHAMEVUUKB-UHFFFAOYSA-N
XLogP9.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 146539955
2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114403
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 139361976
4-phenyl-7-(3-phenylquinoxalin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 129290215
1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375248
5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 139361945
5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole
CID 146540047
11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene
CID 155771561
3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole
CID 135194976
2-dibenzofuran-4-yl-5-[3-(5-phenylbenzo[b]carbazol-8-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 147851338
2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole
CID 155114289

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole (CID 139361992) is 5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2ccccc2nc1-c1ccc(-c2cccc3cccnc23)cc1.
What is the InChIKey of 5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
The InChIKey is KGRZWHAMEVUUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4/c1-2-10-29-24-36-32(23-28(29)9-1)31-13-3-6-17-35(31)43(36)39-38(41-33-15-4-5-16-34(33)42-39)27-20-18-25(19-21-27)30-14-7-11-26-12-8-22-40-37(26)30/h1-24H.
What are the key properties of 5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole has a molecular weight of 548.65 g/mol, XLogP of 9.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 139361992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).