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

C52H30N4S — CID 146375388

IUPAC10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2cc3c(cc12)c1ccccc1n3-c1nc2ccccc2nc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C52H30N4S/c1-2-14-32-28-47-40(27-31(32)13-1)34-16-3-8-23-44(34)55(47)46-25-11-15-33-29-48-41(30-39(33)46)35-17-4-9-24-45(35)56(48)52-50(53-42-21-6-7-22-43(42)54-52)38-20-12-19-37-36-18-5-10-26-49(36)57-51(37)38/h1-30H
InChIKeyCWOIOVAKDYLVON-UHFFFAOYSA-N
MW742.91 g/mol
LogP14.17
Rot. Bonds3

About 10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole

10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole (PubChem CID 146375388) has the molecular formula C52H30N4S and a molecular weight of 742.91 g/mol. Its IUPAC name is 10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
PubChem CID146375388
Molecular FormulaC52H30N4S
Molecular Weight742.91 g/mol
Exact Mass742.22
IUPAC Name10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2cc3c(cc12)c1ccccc1n3-c1nc2ccccc2nc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C52H30N4S/c1-2-14-32-28-47-40(27-31(32)13-1)34-16-3-8-23-44(34)55(47)46-25-11-15-33-29-48-41(30-39(33)46)35-17-4-9-24-45(35)56(48)52-50(53-42-21-6-7-22-43(42)54-52)38-20-12-19-37-36-18-5-10-26-49(36)57-51(37)38/h1-30H
InChIKeyCWOIOVAKDYLVON-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-dibenzofuran-4-ylquinoxalin-2-yl)benzo[b]carbazole;10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole;10-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 160503280
3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375318
10-carbazol-9-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole;10-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole;10-carbazol-9-yl-5-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 159535405
7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375280
9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole
CID 90180755
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621086
5-[5-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621293
5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 139361976
7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146374825
3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375598
5-[2-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621131
5-(6-dibenzofuran-4-yl-3,7-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-dibenzofuran-4-yl-3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(6-dibenzothiophen-4-yl-3,7-diphenylquinoxalin-2-yl)benzo[b]carbazole
CID 161274836

Frequently Asked Questions

What is the IUPAC name of 10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole?
The IUPAC name of 10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole (CID 146375388) is 10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole?
The canonical SMILES for 10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2cc3c(cc12)c1ccccc1n3-c1nc2ccccc2nc1-c1cccc2c1sc1ccccc12.
What is the InChIKey of 10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole?
The InChIKey is CWOIOVAKDYLVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4S/c1-2-14-32-28-47-40(27-31(32)13-1)34-16-3-8-23-44(34)55(47)46-25-11-15-33-29-48-41(30-39(33)46)35-17-4-9-24-45(35)56(48)52-50(53-42-21-6-7-22-43(42)54-52)38-20-12-19-37-36-18-5-10-26-49(36)57-51(37)38/h1-30H.
What are the key properties of 10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole?
10-benzo[b]carbazol-5-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 10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 146375388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).