1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole

C48H30N4 — CID 155114249

IUPAC1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc4ccccc4nc3-n3c4cc5ccccc5cc4c4c(-n5c6ccccc6c6ccccc65)cccc43)c2)cc1
InChIInChI=1S/C48H30N4/c1-2-14-31(15-3-1)32-18-12-19-35(28-32)47-48(50-40-23-9-8-22-39(40)49-47)52-44-27-13-26-43(46(44)38-29-33-16-4-5-17-34(33)30-45(38)52)51-41-24-10-6-20-36(41)37-21-7-11-25-42(37)51/h1-30H
InChIKeyFOIVWZLLGOVSDA-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.31
Rot. Bonds4

About 1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole

1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole (PubChem CID 155114249) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
PubChem CID155114249
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc4ccccc4nc3-n3c4cc5ccccc5cc4c4c(-n5c6ccccc6c6ccccc65)cccc43)c2)cc1
InChIInChI=1S/C48H30N4/c1-2-14-31(15-3-1)32-18-12-19-35(28-32)47-48(50-40-23-9-8-22-39(40)49-47)52-44-27-13-26-43(46(44)38-29-33-16-4-5-17-34(33)30-45(38)52)51-41-24-10-6-20-36(41)37-21-7-11-25-42(37)51/h1-30H
InChIKeyFOIVWZLLGOVSDA-UHFFFAOYSA-N
XLogP12.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375248
2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114403
1-benzo[b]carbazol-5-yl-5-[5-[3-(3,5-diphenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole;1-benzo[b]carbazol-5-yl-5-[5-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 158497164
1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 155114247
5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole
CID 146539824
1-benzo[a]carbazol-11-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-benzo[a]carbazol-11-yl-5-[4-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 159790900
1-benzo[a]carbazol-11-yl-5-[5-[3-(3,5-diphenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole;1-benzo[a]carbazol-11-yl-5-[6-(3-naphthalen-1-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 161202682
10-carbazol-9-yl-7-[3-(3-naphthalen-1-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-carbazol-9-yl-7-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163468032
1-benzo[c]carbazol-7-yl-5-[4-[3-(3,5-diphenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole;1-benzo[c]carbazol-7-yl-5-[6-(3-naphthalen-1-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 158527895
19-phenyl-23-[3-(3-phenylphenyl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 139497799
26-[3-(3-phenylphenyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 139570650
2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 146375178

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
The IUPAC name of 1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole (CID 155114249) is 1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
The canonical SMILES for 1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc4ccccc4nc3-n3c4cc5ccccc5cc4c4c(-n5c6ccccc6c6ccccc65)cccc43)c2)cc1.
What is the InChIKey of 1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
The InChIKey is FOIVWZLLGOVSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-2-14-31(15-3-1)32-18-12-19-35(28-32)47-48(50-40-23-9-8-22-39(40)49-47)52-44-27-13-26-43(46(44)38-29-33-16-4-5-17-34(33)30-45(38)52)51-41-24-10-6-20-36(41)37-21-7-11-25-42(37)51/h1-30H.
What are the key properties of 1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole has a molecular weight of 662.80 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 155114249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).