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

C35H22N4S — CID 142329340

IUPAC7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6cccc(-c7ccccn7)c6s5)cc43)c2)nc1
InChIInChI=1S/C35H22N4S/c1-2-16-32-26(11-1)27-18-17-24(35-38-31-15-8-12-28(34(31)40-35)30-14-4-6-20-37-30)22-33(27)39(32)25-10-7-9-23(21-25)29-13-3-5-19-36-29/h1-22H
InChIKeyTTXXHQMVFSSIPQ-UHFFFAOYSA-N
MW530.66 g/mol
LogP9.18
Rot. Bonds4

About 7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole

7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (PubChem CID 142329340) has the molecular formula C35H22N4S and a molecular weight of 530.66 g/mol. Its IUPAC name is 7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
PubChem CID142329340
Molecular FormulaC35H22N4S
Molecular Weight530.66 g/mol
Exact Mass530.16
IUPAC Name7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6cccc(-c7ccccn7)c6s5)cc43)c2)nc1
InChIInChI=1S/C35H22N4S/c1-2-16-32-26(11-1)27-18-17-24(35-38-31-15-8-12-28(34(31)40-35)30-14-4-6-20-37-30)22-33(27)39(32)25-10-7-9-23(21-25)29-13-3-5-19-36-29/h1-22H
InChIKeyTTXXHQMVFSSIPQ-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

7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285650
2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 142329469
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-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285686
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
6-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]phenanthridine
CID 160823432
2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 153285461
2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328998
2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328762
2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (CID 142329340) is 7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6cccc(-c7ccccn7)c6s5)cc43)c2)nc1.
What is the InChIKey of 7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
The InChIKey is TTXXHQMVFSSIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4S/c1-2-16-32-26(11-1)27-18-17-24(35-38-31-15-8-12-28(34(31)40-35)30-14-4-6-20-37-30)22-33(27)39(32)25-10-7-9-23(21-25)29-13-3-5-19-36-29/h1-22H.
What are the key properties of 7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?
7-pyridin-2-yl-2-[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 7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 142329340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).