2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole

C40H25N5S — CID 142328762

IUPAC2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccccn5)cc4c4cc(-c5ccccn5)c(-c5nc6ccccc6s5)cc43)c2)nc1
InChIInChI=1S/C40H25N5S/c1-2-16-39-36(15-1)44-40(46-39)32-25-38-31(24-29(32)35-14-5-8-21-43-35)30-23-27(34-13-4-7-20-42-34)17-18-37(30)45(38)28-11-9-10-26(22-28)33-12-3-6-19-41-33/h1-25H
InChIKeyHWFRMNVKJPRIKR-UHFFFAOYSA-N
MW607.74 g/mol
LogP10.25
Rot. Bonds5

About 2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole

2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (PubChem CID 142328762) has the molecular formula C40H25N5S and a molecular weight of 607.74 g/mol. Its IUPAC name is 2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
PubChem CID142328762
Molecular FormulaC40H25N5S
Molecular Weight607.74 g/mol
Exact Mass607.18
IUPAC Name2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccccn5)cc4c4cc(-c5ccccn5)c(-c5nc6ccccc6s5)cc43)c2)nc1
InChIInChI=1S/C40H25N5S/c1-2-16-39-36(15-1)44-40(46-39)32-25-38-31(24-29(32)35-14-5-8-21-43-35)30-23-27(34-13-4-7-20-42-34)17-18-37(30)45(38)28-11-9-10-26(22-28)33-12-3-6-19-41-33/h1-25H
InChIKeyHWFRMNVKJPRIKR-UHFFFAOYSA-N
XLogP10.25
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.74
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole
CID 142329467
6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285293
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
6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142329298
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
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole
CID 142329004
2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328998
2-[3-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 168832578
2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole
CID 142329489

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (CID 142328762) is 2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is c1ccc(-c2cccc(-n3c4ccc(-c5ccccn5)cc4c4cc(-c5ccccn5)c(-c5nc6ccccc6s5)cc43)c2)nc1.
What is the InChIKey of 2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The InChIKey is HWFRMNVKJPRIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5S/c1-2-16-39-36(15-1)44-40(46-39)32-25-38-31(24-29(32)35-14-5-8-21-43-35)30-23-27(34-13-4-7-20-42-34)17-18-37(30)45(38)28-11-9-10-26(22-28)33-12-3-6-19-41-33/h1-25H.
What are the key properties of 2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole has a molecular weight of 607.74 g/mol, XLogP of 10.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 142328762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).