3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole

C52H30N4S — CID 146375318

IUPAC3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccc(-n2c4ccccc4c4ccc5ccccc5c42)cc1n3-c1nc2ccccc2nc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C52H30N4S/c1-2-14-33-29-46-42(28-32(33)13-1)37-27-25-34(55-45-22-9-5-16-36(45)39-26-24-31-12-3-4-15-35(31)50(39)55)30-47(37)56(46)52-49(53-43-20-7-8-21-44(43)54-52)41-19-11-18-40-38-17-6-10-23-48(38)57-51(40)41/h1-30H
InChIKeyZKOVGLAWIZVTIH-UHFFFAOYSA-N
MW742.91 g/mol
LogP14.17
Rot. Bonds3

About 3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole

3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole (PubChem CID 146375318) has the molecular formula C52H30N4S and a molecular weight of 742.91 g/mol. Its IUPAC name is 3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
PubChem CID146375318
Molecular FormulaC52H30N4S
Molecular Weight742.91 g/mol
Exact Mass742.22
IUPAC Name3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccc(-n2c4ccccc4c4ccc5ccccc5c42)cc1n3-c1nc2ccccc2nc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C52H30N4S/c1-2-14-33-29-46-42(28-32(33)13-1)37-27-25-34(55-45-22-9-5-16-36(45)39-26-24-31-12-3-4-15-35(31)50(39)55)30-47(37)56(46)52-49(53-43-20-7-8-21-44(43)54-52)41-19-11-18-40-38-17-6-10-23-48(38)57-51(40)41/h1-30H
InChIKeyZKOVGLAWIZVTIH-UHFFFAOYSA-N
XLogP14.17
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.91
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375388
9-[2-(10-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)-3-dibenzothiophen-4-ylquinoxalin-6-yl]-7-[7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 166846223
10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole
CID 162481137
9-benzo[a]carbazol-11-yl-7-(4-dibenzothiophen-3-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-(4-dibenzothiophen-3-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazole
CID 163688928
9-benzo[a]carbazol-11-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-2-ylquinoxalin-2-yl)benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-(3-dibenzothiophen-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane
CID 163590866
3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375598
8-(3-dibenzothiophen-4-ylquinoxalin-2-yl)-1,3,8-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2(7),3,5,9,11,13(24),14,16(23),17,19,21-undecaene
CID 170381429
9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375308
15-phenyl-11-(3-phenylquinoxalin-2-yl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 129141998
10-carbazol-9-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole;10-carbazol-9-yl-7-(3-dibenzothiophen-2-ylquinoxalin-2-yl)benzo[c]carbazole;10-carbazol-9-yl-7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazole;10-carbazol-9-yl-7-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[c]carbazole
CID 163631396
5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 139362260
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

Frequently Asked Questions

What is the IUPAC name of 3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole?
The IUPAC name of 3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole (CID 146375318) is 3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole?
The canonical SMILES for 3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccc(-n2c4ccccc4c4ccc5ccccc5c42)cc1n3-c1nc2ccccc2nc1-c1cccc2c1sc1ccccc12.
What is the InChIKey of 3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole?
The InChIKey is ZKOVGLAWIZVTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4S/c1-2-14-33-29-46-42(28-32(33)13-1)37-27-25-34(55-45-22-9-5-16-36(45)39-26-24-31-12-3-4-15-35(31)50(39)55)30-47(37)56(46)52-49(53-43-20-7-8-21-44(43)54-52)41-19-11-18-40-38-17-6-10-23-48(38)57-51(40)41/h1-30H.
What are the key properties of 3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole?
3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole has a molecular weight of 742.91 g/mol, XLogP of 14.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 146375318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).