2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole

C35H22N4S — CID 142329469

IUPAC2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cccnc2-c2cccc(-n3c4ccccc4c4ccc(-c5nc6ccccc6s5)cc43)c2)nc1
InChIInChI=1S/C35H22N4S/c1-3-15-31-26(11-1)27-18-17-24(35-38-30-14-2-4-16-33(30)40-35)22-32(27)39(31)25-10-7-9-23(21-25)34-28(12-8-20-37-34)29-13-5-6-19-36-29/h1-22H
InChIKeyFQQFLPCROWUSNJ-UHFFFAOYSA-N
MW530.66 g/mol
LogP9.18
Rot. Bonds4

About 2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole

2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole (PubChem CID 142329469) has the molecular formula C35H22N4S and a molecular weight of 530.66 g/mol. Its IUPAC name is 2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole
PubChem CID142329469
Molecular FormulaC35H22N4S
Molecular Weight530.66 g/mol
Exact Mass530.16
IUPAC Name2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cccnc2-c2cccc(-n3c4ccccc4c4ccc(-c5nc6ccccc6s5)cc43)c2)nc1
InChIInChI=1S/C35H22N4S/c1-3-15-31-26(11-1)27-18-17-24(35-38-30-14-2-4-16-33(30)40-35)22-32(27)39(31)25-10-7-9-23(21-25)34-28(12-8-20-37-34)29-13-5-6-19-36-29/h1-22H
InChIKeyFQQFLPCROWUSNJ-UHFFFAOYSA-N
XLogP9.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.66
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 153285461
7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142329340
2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285040
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
2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole
CID 142329489
2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328998
2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 142329260
2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328762
6-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]phenanthridine
CID 160823432
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole (CID 142329469) is 2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole is c1ccc(-c2cccnc2-c2cccc(-n3c4ccccc4c4ccc(-c5nc6ccccc6s5)cc43)c2)nc1.
What is the InChIKey of 2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole?
The InChIKey is FQQFLPCROWUSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4S/c1-3-15-31-26(11-1)27-18-17-24(35-38-30-14-2-4-16-33(30)40-35)22-32(27)39(31)25-10-7-9-23(21-25)34-28(12-8-20-37-34)29-13-5-6-19-36-29/h1-22H.
What are the key properties of 2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole?
2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole has a molecular weight of 530.66 g/mol, XLogP of 9.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 142329469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).