2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole

C34H21N3S2 — CID 142329260

IUPAC2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole
SMILESc1cc(-c2cc(-c3ccsc3)ccn2)cc(-n2c3ccccc3c3ccc(-c4nc5ccccc5s4)cc32)c1
InChIInChI=1S/C34H21N3S2/c1-3-10-31-27(8-1)28-13-12-24(34-36-29-9-2-4-11-33(29)39-34)20-32(28)37(31)26-7-5-6-23(18-26)30-19-22(14-16-35-30)25-15-17-38-21-25/h1-21H
InChIKeyUFZSCRRNFWSTGT-UHFFFAOYSA-N
MW535.70 g/mol
LogP9.85
Rot. Bonds4

About 2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole

2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole (PubChem CID 142329260) has the molecular formula C34H21N3S2 and a molecular weight of 535.70 g/mol. Its IUPAC name is 2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole
PubChem CID142329260
Molecular FormulaC34H21N3S2
Molecular Weight535.70 g/mol
Exact Mass535.12
IUPAC Name2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole
SMILESc1cc(-c2cc(-c3ccsc3)ccn2)cc(-n2c3ccccc3c3ccc(-c4nc5ccccc5s4)cc32)c1
InChIInChI=1S/C34H21N3S2/c1-3-10-31-27(8-1)28-13-12-24(34-36-29-9-2-4-11-33(29)39-34)20-32(28)37(31)26-7-5-6-23(18-26)30-19-22(14-16-35-30)25-15-17-38-21-25/h1-21H
InChIKeyUFZSCRRNFWSTGT-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

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Related Compounds

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
2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 153285461
6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285293
7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142329340
2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole
CID 142329489
2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328881
2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 153285100
9-[3-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]phenyl]carbazole
CID 122627429
9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole
CID 155771450
2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608
6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142329298

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole (CID 142329260) is 2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole is c1cc(-c2cc(-c3ccsc3)ccn2)cc(-n2c3ccccc3c3ccc(-c4nc5ccccc5s4)cc32)c1.
What is the InChIKey of 2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole?
The InChIKey is UFZSCRRNFWSTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3S2/c1-3-10-31-27(8-1)28-13-12-24(34-36-29-9-2-4-11-33(29)39-34)20-32(28)37(31)26-7-5-6-23(18-26)30-19-22(14-16-35-30)25-15-17-38-21-25/h1-21H.
What are the key properties of 2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole?
2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-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-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 142329260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).