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

C54H35N3S — CID 153285293

IUPAC6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2ccc(-c3ccc4nc(-c5ccc6c7cc(-c8ccc(-c9ccccc9)cc8)ccc7n(-c7cccc(-c8ccccn8)c7)c6c5)sc4c3)cc2)cc1
InChIInChI=1S/C54H35N3S/c1-3-10-36(11-4-1)38-17-21-40(22-18-38)42-27-30-51-48(33-42)47-28-25-45(34-52(47)57(51)46-15-9-14-44(32-46)49-16-7-8-31-55-49)54-56-50-29-26-43(35-53(50)58-54)41-23-19-39(20-24-41)37-12-5-2-6-13-37/h1-35H
InChIKeyYXZIJWQLXBRIPD-UHFFFAOYSA-N
MW757.96 g/mol
LogP14.79
Rot. Bonds7

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

6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (PubChem CID 153285293) has the molecular formula C54H35N3S and a molecular weight of 757.96 g/mol. Its IUPAC name is 6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
PubChem CID153285293
Molecular FormulaC54H35N3S
Molecular Weight757.96 g/mol
Exact Mass757.26
IUPAC Name6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2ccc(-c3ccc4nc(-c5ccc6c7cc(-c8ccc(-c9ccccc9)cc8)ccc7n(-c7cccc(-c8ccccn8)c7)c6c5)sc4c3)cc2)cc1
InChIInChI=1S/C54H35N3S/c1-3-10-36(11-4-1)38-17-21-40(22-18-38)42-27-30-51-48(33-42)47-28-25-45(34-52(47)57(51)46-15-9-14-44(32-46)49-16-7-8-31-55-49)54-56-50-29-26-43(35-53(50)58-54)41-23-19-39(20-24-41)37-12-5-2-6-13-37/h1-35H
InChIKeyYXZIJWQLXBRIPD-UHFFFAOYSA-N
XLogP14.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.96
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285040
6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142329298
2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole
CID 142329489
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-[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-[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-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608
9-phenyl-2-pyridin-2-yl-6-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 140814524
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285580

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (CID 153285293) is 6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is c1ccc(-c2ccc(-c3ccc4nc(-c5ccc6c7cc(-c8ccc(-c9ccccc9)cc8)ccc7n(-c7cccc(-c8ccccn8)c7)c6c5)sc4c3)cc2)cc1.
What is the InChIKey of 6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The InChIKey is YXZIJWQLXBRIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3S/c1-3-10-36(11-4-1)38-17-21-40(22-18-38)42-27-30-51-48(33-42)47-28-25-45(34-52(47)57(51)46-15-9-14-44(32-46)49-16-7-8-31-55-49)54-56-50-29-26-43(35-53(50)58-54)41-23-19-39(20-24-41)37-12-5-2-6-13-37/h1-35H.
What are the key properties of 6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole has a molecular weight of 757.96 g/mol, XLogP of 14.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 153285293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).