6-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole

C39H24N4S — CID 126749708

IUPAC6-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
SMILESc1cc(-c2ccc3c(c2)nc2sccn23)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C39H24N4S/c1-4-13-34-29(10-1)30-11-2-5-14-35(30)43(34)28-17-19-37-32(24-28)31-12-3-6-15-36(31)42(37)27-9-7-8-25(22-27)26-16-18-38-33(23-26)40-39-41(38)20-21-44-39/h1-24H
InChIKeyUWHUAFYUGWNGMY-UHFFFAOYSA-N
MW580.72 g/mol
LogP10.41
Rot. Bonds3

About 6-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole

6-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 126749708) has the molecular formula C39H24N4S and a molecular weight of 580.72 g/mol. Its IUPAC name is 6-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name6-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID126749708
Molecular FormulaC39H24N4S
Molecular Weight580.72 g/mol
Exact Mass580.17
IUPAC Name6-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
SMILESc1cc(-c2ccc3c(c2)nc2sccn23)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C39H24N4S/c1-4-13-34-29(10-1)30-11-2-5-14-35(30)43(34)28-17-19-37-32(24-28)31-12-3-6-15-36(31)42(37)27-9-7-8-25(22-27)26-16-18-38-33(23-26)40-39-41(38)20-21-44-39/h1-24H
InChIKeyUWHUAFYUGWNGMY-UHFFFAOYSA-N
XLogP10.41
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.72
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-Methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole
CID 56953325
3-(2-Methylsulfanylbenzimidazol-1-yl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 156010770
6-[6-(4-Fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 24952850
1-(Cyclopropylmethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzimidazol-2-amine
CID 24952851
6-[6-(4-Fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine
CID 24952854
4-Fluoro-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine
CID 49830799
3-ethyl-2-[(E)-2-[9-(4-imidazol-1-ylbutyl)carbazol-3-yl]ethenyl]-1,3-benzothiazol-3-ium iodide
CID 168284131
4-[4-(3-Pyrrolidin-1-ylpropyl)-10-thia-4,12,15-triazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,5,11,13-pentaen-13-yl]aniline
CID 168294519
Naphtho[1,2-d]thiazolo[3,2-a]imidazole
CID 3358015
6-(1,3-benzothiazol-2-yl)-2-{(E)-3-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-1,3-dihydro-2H-1,3-benzimidazol-2-yliden]-1-propenyl}-1-ethyl-3-phenyl-3H-1,3-benzimidazol-1-ium
CID 5759702
2-[1-[[1-Ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
CID 20811941
N-[2-(pyrrolidin-1-ylmethyl)phenyl]-4-[6-[2-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 49833057

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 6-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole (CID 126749708) is 6-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 6-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 6-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole is c1cc(-c2ccc3c(c2)nc2sccn23)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 6-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is UWHUAFYUGWNGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4S/c1-4-13-34-29(10-1)30-11-2-5-14-35(30)43(34)28-17-19-37-32(24-28)31-12-3-6-15-36(31)42(37)27-9-7-8-25(22-27)26-16-18-38-33(23-26)40-39-41(38)20-21-44-39/h1-24H.
What are the key properties of 6-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole?
6-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 580.72 g/mol, XLogP of 10.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 126749708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).