2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole

C35H22N4S — CID 142328881

IUPAC2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-n3c4cc(-c5nc6ccccc6s5)ccc4c4cccc(-c5ccncc5)c43)c2)nc1
InChIInChI=1S/C35H22N4S/c1-2-13-33-31(12-1)38-35(40-33)25-14-15-28-29-10-6-9-27(23-16-19-36-20-17-23)34(29)39(32(28)22-25)26-8-5-7-24(21-26)30-11-3-4-18-37-30/h1-22H
InChIKeyRZXKFIPLFDJDIP-UHFFFAOYSA-N
MW530.66 g/mol
LogP9.18
Rot. Bonds4

About 2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole

2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (PubChem CID 142328881) has the molecular formula C35H22N4S and a molecular weight of 530.66 g/mol. Its IUPAC name is 2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
PubChem CID142328881
Molecular FormulaC35H22N4S
Molecular Weight530.66 g/mol
Exact Mass530.16
IUPAC Name2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-n3c4cc(-c5nc6ccccc6s5)ccc4c4cccc(-c5ccncc5)c43)c2)nc1
InChIInChI=1S/C35H22N4S/c1-2-13-33-31(12-1)38-35(40-33)25-14-15-28-29-10-6-9-27(23-16-19-36-20-17-23)34(29)39(32(28)22-25)26-8-5-7-24(21-26)30-11-3-4-18-37-30/h1-22H
InChIKeyRZXKFIPLFDJDIP-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-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285040
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-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 153285461
6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285293
2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328998
7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285650
2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole
CID 142329489
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
2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole
CID 142329467
6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142329298

Frequently Asked Questions

What is the IUPAC name of 2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (CID 142328881) is 2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is c1ccc(-c2cccc(-n3c4cc(-c5nc6ccccc6s5)ccc4c4cccc(-c5ccncc5)c43)c2)nc1.
What is the InChIKey of 2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The InChIKey is RZXKFIPLFDJDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4S/c1-2-13-33-31(12-1)38-35(40-33)25-14-15-28-29-10-6-9-27(23-16-19-36-20-17-23)34(29)39(32(28)22-25)26-8-5-7-24(21-26)30-11-3-4-18-37-30/h1-22H.
What are the key properties of 2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)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-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 142328881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).