2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole

C34H21N3OS — CID 142328998

IUPAC2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-n3c4cc(-c5nc6ccccc6s5)ccc4c4c(-c5ccco5)cccc43)c2)nc1
InChIInChI=1S/C34H21N3OS/c1-2-15-32-28(12-1)36-34(39-32)23-16-17-25-30(21-23)37(24-9-5-8-22(20-24)27-11-3-4-18-35-27)29-13-6-10-26(33(25)29)31-14-7-19-38-31/h1-21H
InChIKeyRSPCQZBWLHYUMB-UHFFFAOYSA-N
MW519.63 g/mol
LogP9.38
Rot. Bonds4

About 2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole

2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (PubChem CID 142328998) has the molecular formula C34H21N3OS and a molecular weight of 519.63 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
PubChem CID142328998
Molecular FormulaC34H21N3OS
Molecular Weight519.63 g/mol
Exact Mass519.14
IUPAC Name2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-n3c4cc(-c5nc6ccccc6s5)ccc4c4c(-c5ccco5)cccc43)c2)nc1
InChIInChI=1S/C34H21N3OS/c1-2-15-32-28(12-1)36-34(39-32)23-16-17-25-30(21-23)37(24-9-5-8-22(20-24)27-11-3-4-18-35-27)29-13-6-10-26(33(25)29)31-14-7-19-38-31/h1-21H
InChIKeyRSPCQZBWLHYUMB-UHFFFAOYSA-N
XLogP9.38
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.63
LogP ≤ 59.38
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
7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142329340
2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 142329469
2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole
CID 142329489
2-[4-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285439
2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328881
7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285650
6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285293
6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142329298
2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328762
2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 153285461
2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 142329260

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (CID 142328998) is 2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is c1ccc(-c2cccc(-n3c4cc(-c5nc6ccccc6s5)ccc4c4c(-c5ccco5)cccc43)c2)nc1.
What is the InChIKey of 2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The InChIKey is RSPCQZBWLHYUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3OS/c1-2-15-32-28(12-1)36-34(39-32)23-16-17-25-30(21-23)37(24-9-5-8-22(20-24)27-11-3-4-18-35-27)29-13-6-10-26(33(25)29)31-14-7-19-38-31/h1-21H.
What are the key properties of 2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole has a molecular weight of 519.63 g/mol, XLogP of 9.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 142328998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).