2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole

C34H21N3S2 — CID 142329467

IUPAC2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5cccs5)c(-c5nc6ccccc6s5)cc43)c2)nc1
InChIInChI=1S/C34H21N3S2/c1-3-14-30-24(11-1)25-20-26(32-16-8-18-38-32)27(34-36-29-13-2-4-15-33(29)39-34)21-31(25)37(30)23-10-7-9-22(19-23)28-12-5-6-17-35-28/h1-21H
InChIKeyRXKXGWHXLAACKA-UHFFFAOYSA-N
MW535.70 g/mol
LogP9.85
Rot. Bonds4

About 2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole

2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole (PubChem CID 142329467) has the molecular formula C34H21N3S2 and a molecular weight of 535.70 g/mol. Its IUPAC name is 2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole
PubChem CID142329467
Molecular FormulaC34H21N3S2
Molecular Weight535.70 g/mol
Exact Mass535.12
IUPAC Name2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5cccs5)c(-c5nc6ccccc6s5)cc43)c2)nc1
InChIInChI=1S/C34H21N3S2/c1-3-14-30-24(11-1)25-20-26(32-16-8-18-38-32)27(34-36-29-13-2-4-15-33(29)39-34)21-31(25)37(30)23-10-7-9-22(19-23)28-12-5-6-17-35-28/h1-21H
InChIKeyRXKXGWHXLAACKA-UHFFFAOYSA-N
XLogP9.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.70
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole 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-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328762
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole
CID 142329004
2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole
CID 142329463
2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285040
2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 142329469
7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142329340
2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328881
6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285293
2-[4-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285439
2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole
CID 142329489
2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 142329260
2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 153285461

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole (CID 142329467) is 2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5cccs5)c(-c5nc6ccccc6s5)cc43)c2)nc1.
What is the InChIKey of 2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole?
The InChIKey is RXKXGWHXLAACKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3S2/c1-3-14-30-24(11-1)25-20-26(32-16-8-18-38-32)27(34-36-29-13-2-4-15-33(29)39-34)21-31(25)37(30)23-10-7-9-22(19-23)28-12-5-6-17-35-28/h1-21H.
What are the key properties of 2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole?
2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole has a molecular weight of 535.70 g/mol, XLogP of 9.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 142329467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).