6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine

C35H22N2S — CID 122693061

IUPAC6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc3c2sc2cccnc23)c1
InChIInChI=1S/C35H22N2S/c1-3-17-31-28(13-1)29-14-2-4-18-32(29)37(31)26-12-6-10-24(22-26)23-9-5-11-25(21-23)27-15-7-16-30-34-33(38-35(27)30)19-8-20-36-34/h1-22H
InChIKeyURTXFESKMYCZCQ-UHFFFAOYSA-N
MW502.64 g/mol
LogP9.88
Rot. Bonds3

About 6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine

6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine (PubChem CID 122693061) has the molecular formula C35H22N2S and a molecular weight of 502.64 g/mol. Its IUPAC name is 6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
PubChem CID122693061
Molecular FormulaC35H22N2S
Molecular Weight502.64 g/mol
Exact Mass502.15
IUPAC Name6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc3c2sc2cccnc23)c1
InChIInChI=1S/C35H22N2S/c1-3-17-31-28(13-1)29-14-2-4-18-32(29)37(31)26-12-6-10-24(22-26)23-9-5-11-25(21-23)27-15-7-16-30-34-33(38-35(27)30)19-8-20-36-34/h1-22H
InChIKeyURTXFESKMYCZCQ-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

9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
CID 89417098
4,6-bis(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine
CID 146606250
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
6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole
CID 70847781
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[3,2-b]pyridine
CID 122693097
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole
CID 70847801
8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693027
6-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 177115898
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine
CID 59413694

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine (CID 122693061) is 6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine is c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc3c2sc2cccnc23)c1.
What is the InChIKey of 6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is URTXFESKMYCZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2S/c1-3-17-31-28(13-1)29-14-2-4-18-32(29)37(31)26-12-6-10-24(22-26)23-9-5-11-25(21-23)27-15-7-16-30-34-33(38-35(27)30)19-8-20-36-34/h1-22H.
What are the key properties of 6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine?
6-[3-(3-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 6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 122693061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).