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

C34H21N3OS — CID 153285650

IUPAC7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6cccc(-c7ccoc7)c6s5)cc43)c2)nc1
InChIInChI=1S/C34H21N3OS/c1-2-13-31-27(9-1)28-15-14-23(34-36-30-12-6-10-26(33(30)39-34)24-16-18-38-21-24)20-32(28)37(31)25-8-5-7-22(19-25)29-11-3-4-17-35-29/h1-21H
InChIKeyROTQRKAGUSIIAE-UHFFFAOYSA-N
MW519.63 g/mol
LogP9.38
Rot. Bonds4

About 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole

7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (PubChem CID 153285650) has the molecular formula C34H21N3OS and a molecular weight of 519.63 g/mol. Its IUPAC name is 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
PubChem CID153285650
Molecular FormulaC34H21N3OS
Molecular Weight519.63 g/mol
Exact Mass519.14
IUPAC Name7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6cccc(-c7ccoc7)c6s5)cc43)c2)nc1
InChIInChI=1S/C34H21N3OS/c1-2-13-31-27(9-1)28-15-14-23(34-36-30-12-6-10-26(33(30)39-34)24-16-18-38-21-24)20-32(28)37(31)25-8-5-7-22(19-25)29-11-3-4-17-35-29/h1-21H
InChIKeyROTQRKAGUSIIAE-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

7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142329340
6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142329298
2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzothiazole
CID 153285321
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-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285040
2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328998
2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328881
7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285686
6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285293
6-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]phenanthridine
CID 160823432
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 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (CID 153285650) is 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6cccc(-c7ccoc7)c6s5)cc43)c2)nc1.
What is the InChIKey of 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The InChIKey is ROTQRKAGUSIIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3OS/c1-2-13-31-27(9-1)28-15-14-23(34-36-30-12-6-10-26(33(30)39-34)24-16-18-38-21-24)20-32(28)37(31)25-8-5-7-22(19-25)29-11-3-4-17-35-29/h1-21H.
What are the key properties of 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
7-(furan-3-yl)-2-[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 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 153285650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).