1,6-bis(indolo[1,2-a]benzimidazol-10-yl)-[1]benzothiolo[2,3-c]pyridine

C39H23N5S — CID 139407471

IUPAC1,6-bis(indolo[1,2-a]benzimidazol-10-yl)-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc2c(c1)cc1n(-c3ccc4sc5c(-n6c7ccccc7n7c8ccccc8cc67)nccc5c4c3)c3ccccc3n21
InChIInChI=1S/C39H23N5S/c1-3-11-29-24(9-1)21-36-41(31-13-5-6-14-32(31)42(29)36)26-17-18-35-28(23-26)27-19-20-40-39(38(27)45-35)44-34-16-8-7-15-33(34)43-30-12-4-2-10-25(30)22-37(43)44/h1-23H
InChIKeyPBEWBHZOQDYGOU-UHFFFAOYSA-N
MW593.72 g/mol
LogP10.15
Rot. Bonds2

About 1,6-bis(indolo[1,2-a]benzimidazol-10-yl)-[1]benzothiolo[2,3-c]pyridine

1,6-bis(indolo[1,2-a]benzimidazol-10-yl)-[1]benzothiolo[2,3-c]pyridine (PubChem CID 139407471) has the molecular formula C39H23N5S and a molecular weight of 593.72 g/mol. Its IUPAC name is 1,6-bis(indolo[1,2-a]benzimidazol-10-yl)-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name1,6-bis(indolo[1,2-a]benzimidazol-10-yl)-[1]benzothiolo[2,3-c]pyridine
PubChem CID139407471
Molecular FormulaC39H23N5S
Molecular Weight593.72 g/mol
Exact Mass593.17
IUPAC Name1,6-bis(indolo[1,2-a]benzimidazol-10-yl)-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc2c(c1)cc1n(-c3ccc4sc5c(-n6c7ccccc7n7c8ccccc8cc67)nccc5c4c3)c3ccccc3n21
InChIInChI=1S/C39H23N5S/c1-3-11-29-24(9-1)21-36-41(31-13-5-6-14-32(31)42(29)36)26-17-18-35-28(23-26)27-19-20-40-39(38(27)45-35)44-34-16-8-7-15-33(34)43-30-12-4-2-10-25(30)22-37(43)44/h1-23H
InChIKeyPBEWBHZOQDYGOU-UHFFFAOYSA-N
XLogP10.15
TPSA31.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.72
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,6-bis(indolo[1,2-a]benzimidazol-10-yl)-[1]benzothiolo[2,3-c]pyridine 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-(5-Imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole
CID 139236157
3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-19-phenyl-11-thia-3,19-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 68232729
7-[8-(4-Fluorocarbazol-9-yl)dibenzothiophen-4-yl]-10-phenylindolo[1,2-a]benzimidazole
CID 121419645
5-[8-(4-Fluorocarbazol-9-yl)dibenzothiophen-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 121419654
5-[8-(4-Fluorocarbazol-9-yl)dibenzothiophen-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 121419655
3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine
CID 134429102
9-([1]benzothiolo[2,3-c]pyridin-1-yl)-N-[2-(2-fluorophenyl)phenyl]carbazol-1-amine
CID 146661577
1-(1-Carbazol-9-ylcarbazol-9-yl)-6-fluoro-[1]benzothiolo[2,3-c]pyridine
CID 170226798
iridium;2-phenylpyridine;21-[8-(trifluoromethyl)-3H-naphtho[2,3-b][1]benzothiol-3-id-4-yl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,21,23,25-tridecaene
CID 176784344
9-(8-(9h-Carbazol-9-yl)dibenzo[b,d]thiophen-2-yl)-9h-pyrido[2,3-b]-indole
CID 132568146
2,8-Bis(9h-pyrido[2,3-b]indol-9-yl)dibenzo-[b,d]thiophene
CID 132568147
10-[Fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
CID 140951700

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(indolo[1,2-a]benzimidazol-10-yl)-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 1,6-bis(indolo[1,2-a]benzimidazol-10-yl)-[1]benzothiolo[2,3-c]pyridine (CID 139407471) is 1,6-bis(indolo[1,2-a]benzimidazol-10-yl)-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 1,6-bis(indolo[1,2-a]benzimidazol-10-yl)-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 1,6-bis(indolo[1,2-a]benzimidazol-10-yl)-[1]benzothiolo[2,3-c]pyridine is c1ccc2c(c1)cc1n(-c3ccc4sc5c(-n6c7ccccc7n7c8ccccc8cc67)nccc5c4c3)c3ccccc3n21.
What is the InChIKey of 1,6-bis(indolo[1,2-a]benzimidazol-10-yl)-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is PBEWBHZOQDYGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N5S/c1-3-11-29-24(9-1)21-36-41(31-13-5-6-14-32(31)42(29)36)26-17-18-35-28(23-26)27-19-20-40-39(38(27)45-35)44-34-16-8-7-15-33(34)43-30-12-4-2-10-25(30)22-37(43)44/h1-23H.
What are the key properties of 1,6-bis(indolo[1,2-a]benzimidazol-10-yl)-[1]benzothiolo[2,3-c]pyridine?
1,6-bis(indolo[1,2-a]benzimidazol-10-yl)-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 593.72 g/mol, XLogP of 10.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(indolo[1,2-a]benzimidazol-10-yl)-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 139407471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).