9-[2-(3-quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole

C33H19N5S2 — CID 10120028

IUPAC9-[2-(3-quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole
SMILESc1cc(-n2c(-c3cc4sc(-n5c6ccccc6c6ccccc65)cc4s3)nc3cccnc32)c2cccnc2c1
InChIInChI=1S/C33H19N5S2/c1-3-13-25-20(8-1)21-9-2-4-14-26(21)37(25)31-19-29-28(40-31)18-30(39-29)33-36-24-12-7-17-35-32(24)38(33)27-15-5-11-23-22(27)10-6-16-34-23/h1-19H
InChIKeyXCBZUJXTJZPVMR-UHFFFAOYSA-N
MW549.68 g/mol
LogP9.01
Rot. Bonds3

About 9-[2-(3-quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole

9-[2-(3-quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole (PubChem CID 10120028) has the molecular formula C33H19N5S2 and a molecular weight of 549.68 g/mol. Its IUPAC name is 9-[2-(3-quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole.

Molecular Properties

Compound Name9-[2-(3-quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole
PubChem CID10120028
Molecular FormulaC33H19N5S2
Molecular Weight549.68 g/mol
Exact Mass549.11
IUPAC Name9-[2-(3-quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole
SMILESc1cc(-n2c(-c3cc4sc(-n5c6ccccc6c6ccccc65)cc4s3)nc3cccnc32)c2cccnc2c1
InChIInChI=1S/C33H19N5S2/c1-3-13-25-20(8-1)21-9-2-4-14-26(21)37(25)31-19-29-28(40-31)18-30(39-29)33-36-24-12-7-17-35-32(24)38(33)27-15-5-11-23-22(27)10-6-16-34-23/h1-19H
InChIKeyXCBZUJXTJZPVMR-UHFFFAOYSA-N
XLogP9.01
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.68
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[2-(3-quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole with MolForge

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Related Compounds

6-Benzylsulfanyl-9-[[4-[4-[(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]purine bromide
CID 71740774
1-Quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine
CID 134132267
2-Methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole
CID 134149275
US10167270, Example 14
CID 8568031
6-(6-Thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
CID 155544174
6-(6-Thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
CID 155568714
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
8-Benzyl-4-tert-butyl-6-phenyl-12-thiophen-2-yl-1,5-diaza-8-azoniatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaene bromide
CID 164621767
15-Methyl-9-thiophen-2-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 172448005
2-Butyl-1-(thiophen-3-ylmethyl)imidazo[4,5-c]quinoline
CID 177647090
2-(Indolo[3,2-b]quinoxalin-6-ylmethyl)thiazole
CID 5271716

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole?
The IUPAC name of 9-[2-(3-quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole (CID 10120028) is 9-[2-(3-quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole.
What is the SMILES notation for 9-[2-(3-quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole?
The canonical SMILES for 9-[2-(3-quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole is c1cc(-n2c(-c3cc4sc(-n5c6ccccc6c6ccccc65)cc4s3)nc3cccnc32)c2cccnc2c1.
What is the InChIKey of 9-[2-(3-quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole?
The InChIKey is XCBZUJXTJZPVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19N5S2/c1-3-13-25-20(8-1)21-9-2-4-14-26(21)37(25)31-19-29-28(40-31)18-30(39-29)33-36-24-12-7-17-35-32(24)38(33)27-15-5-11-23-22(27)10-6-16-34-23/h1-19H.
What are the key properties of 9-[2-(3-quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole?
9-[2-(3-quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole has a molecular weight of 549.68 g/mol, XLogP of 9.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole is sourced from PubChem (CID 10120028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).