2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole

C42H27N3S — CID 153285040

IUPAC2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3ccc(-c5nc6ccccc6s5)cc3n4-c3cccc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C42H27N3S/c1-2-9-28(10-3-1)29-16-18-30(19-17-29)31-21-23-39-36(26-31)35-22-20-33(42-44-38-14-4-5-15-41(38)46-42)27-40(35)45(39)34-12-8-11-32(25-34)37-13-6-7-24-43-37/h1-27H
InChIKeyWAYAQGGVXJSSSE-UHFFFAOYSA-N
MW605.77 g/mol
LogP11.46
Rot. Bonds5

About 2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole

2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (PubChem CID 153285040) has the molecular formula C42H27N3S and a molecular weight of 605.77 g/mol. Its IUPAC name is 2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
PubChem CID153285040
Molecular FormulaC42H27N3S
Molecular Weight605.77 g/mol
Exact Mass605.19
IUPAC Name2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3ccc(-c5nc6ccccc6s5)cc3n4-c3cccc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C42H27N3S/c1-2-9-28(10-3-1)29-16-18-30(19-17-29)31-21-23-39-36(26-31)35-22-20-33(42-44-38-14-4-5-15-41(38)46-42)27-40(35)45(39)34-12-8-11-32(25-34)37-13-6-7-24-43-37/h1-27H
InChIKeyWAYAQGGVXJSSSE-UHFFFAOYSA-N
XLogP11.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.77
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328881
2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 153285461
2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole
CID 142329489
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-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 142329260
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-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328998

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (CID 153285040) is 2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is c1ccc(-c2ccc(-c3ccc4c(c3)c3ccc(-c5nc6ccccc6s5)cc3n4-c3cccc(-c4ccccn4)c3)cc2)cc1.
What is the InChIKey of 2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The InChIKey is WAYAQGGVXJSSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3S/c1-2-9-28(10-3-1)29-16-18-30(19-17-29)31-21-23-39-36(26-31)35-22-20-33(42-44-38-14-4-5-15-41(38)46-42)27-40(35)45(39)34-12-8-11-32(25-34)37-13-6-7-24-43-37/h1-27H.
What are the key properties of 2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole has a molecular weight of 605.77 g/mol, XLogP of 11.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 153285040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).