1-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)quinolin-6-yl]-9H-carbazole

C52H31N5OS — CID 141135922

IUPAC1-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)quinolin-6-yl]-9H-carbazole
SMILESc1ccc2[nH]c(-c3nc4ccc(-c5cccc6c5[nH]c5ccccc56)c(-c5nc6ccccc6[nH]5)c4c(-c4cc5ccccc5s4)c3-c3cc4ccccc4o3)cc2c1
InChIInChI=1S/C52H31N5OS/c1-5-18-36-29(12-1)26-41(53-36)51-48(43-27-30-13-2-9-22-42(30)58-43)49(45-28-31-14-3-10-23-44(31)59-45)47-40(55-51)25-24-33(46(47)52-56-38-20-7-8-21-39(38)57-52)35-17-11-16-34-32-15-4-6-19-37(32)54-50(34)35/h1-28,53-54H,(H,56,57)
InChIKeyBGQSYGDFOBADBF-UHFFFAOYSA-N
MW773.92 g/mol
LogP14.52
Rot. Bonds5

About 1-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)quinolin-6-yl]-9H-carbazole

1-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)quinolin-6-yl]-9H-carbazole (PubChem CID 141135922) has the molecular formula C52H31N5OS and a molecular weight of 773.92 g/mol. Its IUPAC name is 1-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)quinolin-6-yl]-9H-carbazole.

Molecular Properties

Compound Name1-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)quinolin-6-yl]-9H-carbazole
PubChem CID141135922
Molecular FormulaC52H31N5OS
Molecular Weight773.92 g/mol
Exact Mass773.22
IUPAC Name1-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)quinolin-6-yl]-9H-carbazole
SMILESc1ccc2[nH]c(-c3nc4ccc(-c5cccc6c5[nH]c5ccccc56)c(-c5nc6ccccc6[nH]5)c4c(-c4cc5ccccc5s4)c3-c3cc4ccccc4o3)cc2c1
InChIInChI=1S/C52H31N5OS/c1-5-18-36-29(12-1)26-41(53-36)51-48(43-27-30-13-2-9-22-42(30)58-43)49(45-28-31-14-3-10-23-44(31)59-45)47-40(55-51)25-24-33(46(47)52-56-38-20-7-8-21-39(38)57-52)35-17-11-16-34-32-15-4-6-19-37(32)54-50(34)35/h1-28,53-54H,(H,56,57)
InChIKeyBGQSYGDFOBADBF-UHFFFAOYSA-N
XLogP14.52
TPSA86.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.92
LogP ≤ 514.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)quinolin-6-yl]-9H-carbazole 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

5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 138554689
14-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155159487
5-Dibenzothiophen-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155160013
2-Dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11-phenylindolo[3,2-b]carbazole
CID 155160153
5-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 157460835
4-(1-Dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-[1]benzofuro[2,3-b]quinoline
CID 156668380
8-[1-(2,4-Dimethyldibenzothiophen-3-yl)benzo[e]benzimidazol-2-yl]-5-fluoro-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 156670237
10-Fluoro-4-[1-(1-methyldibenzothiophen-4-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 156670503
8-[3-(2,4-Dimethyldibenzofuran-3-yl)benzo[f]benzimidazol-2-yl]-5-fluoro-2-propan-2-yl-[1]benzothiolo[2,3-b]pyridine
CID 176644022
2-Dibenzothiophen-2-yl-5-[4-(4-phenylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 67700237
3-Dibenzothiophen-4-yl-5-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 68015850
12-(4-Dibenzothiophen-4-ylquinolin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 71291223

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)quinolin-6-yl]-9H-carbazole?
The IUPAC name of 1-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)quinolin-6-yl]-9H-carbazole (CID 141135922) is 1-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)quinolin-6-yl]-9H-carbazole.
What is the SMILES notation for 1-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)quinolin-6-yl]-9H-carbazole?
The canonical SMILES for 1-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)quinolin-6-yl]-9H-carbazole is c1ccc2[nH]c(-c3nc4ccc(-c5cccc6c5[nH]c5ccccc56)c(-c5nc6ccccc6[nH]5)c4c(-c4cc5ccccc5s4)c3-c3cc4ccccc4o3)cc2c1.
What is the InChIKey of 1-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)quinolin-6-yl]-9H-carbazole?
The InChIKey is BGQSYGDFOBADBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N5OS/c1-5-18-36-29(12-1)26-41(53-36)51-48(43-27-30-13-2-9-22-42(30)58-43)49(45-28-31-14-3-10-23-44(31)59-45)47-40(55-51)25-24-33(46(47)52-56-38-20-7-8-21-39(38)57-52)35-17-11-16-34-32-15-4-6-19-37(32)54-50(34)35/h1-28,53-54H,(H,56,57).
What are the key properties of 1-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)quinolin-6-yl]-9H-carbazole?
1-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)quinolin-6-yl]-9H-carbazole has a molecular weight of 773.92 g/mol, XLogP of 14.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)quinolin-6-yl]-9H-carbazole is sourced from PubChem (CID 141135922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).