10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole

C52H30N4S — CID 162481137

IUPAC10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole
SMILESc1ccc2c(c1)ccc1c2c2cc(-n3c4ccccc4c4ccc5ccccc5c43)ccc2n1-c1nc2ccccc2nc1-c1cccc2sc3ccccc3c12
InChIInChI=1S/C52H30N4S/c1-3-14-34-31(12-1)25-28-45-48(34)40-30-33(55-43-21-9-5-16-36(43)37-27-24-32-13-2-4-15-35(32)51(37)55)26-29-44(40)56(45)52-50(53-41-19-7-8-20-42(41)54-52)39-18-11-23-47-49(39)38-17-6-10-22-46(38)57-47/h1-30H
InChIKeyVBBGLZLTLSJROI-UHFFFAOYSA-N
MW742.91 g/mol
LogP14.17
Rot. Bonds3

About 10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole

10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole (PubChem CID 162481137) has the molecular formula C52H30N4S and a molecular weight of 742.91 g/mol. Its IUPAC name is 10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole
PubChem CID162481137
Molecular FormulaC52H30N4S
Molecular Weight742.91 g/mol
Exact Mass742.22
IUPAC Name10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole
SMILESc1ccc2c(c1)ccc1c2c2cc(-n3c4ccccc4c4ccc5ccccc5c43)ccc2n1-c1nc2ccccc2nc1-c1cccc2sc3ccccc3c12
InChIInChI=1S/C52H30N4S/c1-3-14-34-31(12-1)25-28-45-48(34)40-30-33(55-43-21-9-5-16-36(43)37-27-24-32-13-2-4-15-35(32)51(37)55)26-29-44(40)56(45)52-50(53-41-19-7-8-20-42(41)54-52)39-18-11-23-47-49(39)38-17-6-10-22-46(38)57-47/h1-30H
InChIKeyVBBGLZLTLSJROI-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-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
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
3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375318
7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146374825
9-carbazol-9-yl-7-(4-dibenzothiophen-1-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481219
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
11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
CID 146374812
11-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[3-(9,9-dimethylfluoren-4-yl)quinoxalin-2-yl]benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 158116510
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
1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole
CID 142571936
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
10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole
CID 162481423

Frequently Asked Questions

What is the IUPAC name of 10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole?
The IUPAC name of 10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole (CID 162481137) is 10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole?
The canonical SMILES for 10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole is c1ccc2c(c1)ccc1c2c2cc(-n3c4ccccc4c4ccc5ccccc5c43)ccc2n1-c1nc2ccccc2nc1-c1cccc2sc3ccccc3c12.
What is the InChIKey of 10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole?
The InChIKey is VBBGLZLTLSJROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4S/c1-3-14-34-31(12-1)25-28-45-48(34)40-30-33(55-43-21-9-5-16-36(43)37-27-24-32-13-2-4-15-35(32)51(37)55)26-29-44(40)56(45)52-50(53-41-19-7-8-20-42(41)54-52)39-18-11-23-47-49(39)38-17-6-10-22-46(38)57-47/h1-30H.
What are the key properties of 10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole?
10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]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 10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 162481137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).