8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine

C35H22N2S — CID 122693027

IUPAC8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
SMILESc1cc(-c2ccc3sc4cccnc4c3c2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C35H22N2S/c1-4-14-30(37-31-15-5-2-12-27(31)28-13-3-6-16-32(28)37)26(11-1)25-10-7-9-23(21-25)24-18-19-33-29(22-24)35-34(38-33)17-8-20-36-35/h1-22H
InChIKeyLFIAKNPYPFPUMP-UHFFFAOYSA-N
MW502.64 g/mol
LogP9.88
Rot. Bonds3

About 8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine

8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine (PubChem CID 122693027) has the molecular formula C35H22N2S and a molecular weight of 502.64 g/mol. Its IUPAC name is 8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
PubChem CID122693027
Molecular FormulaC35H22N2S
Molecular Weight502.64 g/mol
Exact Mass502.15
IUPAC Name8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
SMILESc1cc(-c2ccc3sc4cccnc4c3c2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C35H22N2S/c1-4-14-30(37-31-15-5-2-12-27(31)28-13-3-6-16-32(28)37)26(11-1)25-10-7-9-23(21-25)24-18-19-33-29(22-24)35-34(38-33)17-8-20-36-35/h1-22H
InChIKeyLFIAKNPYPFPUMP-UHFFFAOYSA-N
XLogP9.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.64
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-carbazol-9-yl-2,5-dimethylphenyl)-[1]benzothiolo[3,2-b]pyridine
CID 122693121
6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693061
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
8-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693074
9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
CID 166037170
8-(4-carbazol-9-yl-2,5-dimethylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-[1]benzothiolo[3,2-b]pyridine;6-(3-carbazol-9-yl-5-phenylphenyl)-[1]benzothiolo[3,2-b]pyridine
CID 159838634
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
6-[3-[4-(3-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 172500377
9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole
CID 118534297
6-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 177115898
7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
CID 89417098
9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438015

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine (CID 122693027) is 8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine is c1cc(-c2ccc3sc4cccnc4c3c2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is LFIAKNPYPFPUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2S/c1-4-14-30(37-31-15-5-2-12-27(31)28-13-3-6-16-32(28)37)26(11-1)25-10-7-9-23(21-25)24-18-19-33-29(22-24)35-34(38-33)17-8-20-36-35/h1-22H.
What are the key properties of 8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine?
8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 502.64 g/mol, XLogP of 9.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 122693027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).