9-[2-(1-quinolin-5-ylbenzimidazol-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole

C34H20N4S2 — CID 23527796

IUPAC9-[2-(1-quinolin-5-ylbenzimidazol-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole
SMILESc1cc(-n2c(-c3cc4sc(-n5c6ccccc6c6ccccc65)cc4s3)nc3ccccc32)c2cccnc2c1
InChIInChI=1S/C34H20N4S2/c1-4-14-26-21(9-1)22-10-2-5-15-27(22)37(26)33-20-31-30(40-33)19-32(39-31)34-36-25-12-3-6-16-29(25)38(34)28-17-7-13-24-23(28)11-8-18-35-24/h1-20H
InChIKeyPODPSRKCWDLPGS-UHFFFAOYSA-N
MW548.70 g/mol
LogP9.61
Rot. Bonds3

About 9-[2-(1-quinolin-5-ylbenzimidazol-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole

9-[2-(1-quinolin-5-ylbenzimidazol-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole (PubChem CID 23527796) has the molecular formula C34H20N4S2 and a molecular weight of 548.70 g/mol. Its IUPAC name is 9-[2-(1-quinolin-5-ylbenzimidazol-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole.

Molecular Properties

Compound Name9-[2-(1-quinolin-5-ylbenzimidazol-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole
PubChem CID23527796
Molecular FormulaC34H20N4S2
Molecular Weight548.70 g/mol
Exact Mass548.11
IUPAC Name9-[2-(1-quinolin-5-ylbenzimidazol-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole
SMILESc1cc(-n2c(-c3cc4sc(-n5c6ccccc6c6ccccc65)cc4s3)nc3ccccc32)c2cccnc2c1
InChIInChI=1S/C34H20N4S2/c1-4-14-26-21(9-1)22-10-2-5-15-27(22)37(26)33-20-31-30(40-33)19-32(39-31)34-36-25-12-3-6-16-29(25)38(34)28-17-7-13-24-23(28)11-8-18-35-24/h1-20H
InChIKeyPODPSRKCWDLPGS-UHFFFAOYSA-N
XLogP9.61
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.70
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-(Benzimidazolo[1,2-c]quinazolin-6-yl)thiophen-2-yl]benzimidazolo[1,2-c]quinazoline
CID 44139305
6-(1-Benzylindol-3-yl)-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine
CID 72199222
3-Cyclohexyl-2-thiophen-2-ylimidazo[4,5-g]quinoline
CID 127035539
2-Butyl-1-(thiophen-3-ylmethyl)imidazo[4,5-c]quinoline
CID 177647090
2-(Indolo[3,2-b]quinoxalin-6-ylmethyl)thiazole
CID 5271716
4-(1H-benzo[d]imidazol-1-yl)-2,6-diphenylthieno[2,3-d]pyrimidine
CID 2132610
2-[6-[3-(4-Fluorophenyl)-4-pyrrol-1-yl-1-tritylpyrrol-2-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 69157409
2,3-Bis[2-fluoro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile
CID 69157566
2,3-Bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile
CID 69157596
2,3-Bis[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile
CID 69319131
2,3-Bis[4-[8-(1-benzothiophen-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]butanedinitrile
CID 69324012
6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156671742

Frequently Asked Questions

What is the IUPAC name of 9-[2-(1-quinolin-5-ylbenzimidazol-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole?
The IUPAC name of 9-[2-(1-quinolin-5-ylbenzimidazol-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole (CID 23527796) is 9-[2-(1-quinolin-5-ylbenzimidazol-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole.
What is the SMILES notation for 9-[2-(1-quinolin-5-ylbenzimidazol-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole?
The canonical SMILES for 9-[2-(1-quinolin-5-ylbenzimidazol-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole is c1cc(-n2c(-c3cc4sc(-n5c6ccccc6c6ccccc65)cc4s3)nc3ccccc32)c2cccnc2c1.
What is the InChIKey of 9-[2-(1-quinolin-5-ylbenzimidazol-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole?
The InChIKey is PODPSRKCWDLPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4S2/c1-4-14-26-21(9-1)22-10-2-5-15-27(22)37(26)33-20-31-30(40-33)19-32(39-31)34-36-25-12-3-6-16-29(25)38(34)28-17-7-13-24-23(28)11-8-18-35-24/h1-20H.
What are the key properties of 9-[2-(1-quinolin-5-ylbenzimidazol-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole?
9-[2-(1-quinolin-5-ylbenzimidazol-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole has a molecular weight of 548.70 g/mol, XLogP of 9.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(1-quinolin-5-ylbenzimidazol-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole is sourced from PubChem (CID 23527796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).