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

C35H22N2S — CID 59413694

IUPAC6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc3c2sc2ccncc23)c1
InChIInChI=1S/C35H22N2S/c1-3-16-32-28(12-1)29-13-2-4-17-33(29)37(32)26-11-6-9-24(21-26)23-8-5-10-25(20-23)27-14-7-15-30-31-22-36-19-18-34(31)38-35(27)30/h1-22H
InChIKeyMGGNJIRJNBOJSD-UHFFFAOYSA-N
MW502.64 g/mol
LogP9.88
Rot. Bonds3

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

6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine (PubChem CID 59413694) 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-c]pyridine.

Molecular Properties

Compound Name6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine
PubChem CID59413694
Molecular FormulaC35H22N2S
Molecular Weight502.64 g/mol
Exact Mass502.15
IUPAC Name6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc3c2sc2ccncc23)c1
InChIInChI=1S/C35H22N2S/c1-3-16-32-28(12-1)29-13-2-4-17-33(29)37(32)26-11-6-9-24(21-26)23-8-5-10-25(20-23)27-14-7-15-30-31-22-36-19-18-34(31)38-35(27)30/h1-22H
InChIKeyMGGNJIRJNBOJSD-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
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731
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
3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole
CID 70847777
bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 161133194
7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
CID 89417098
6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693061
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole
CID 70847781
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine?
The IUPAC name of 6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine (CID 59413694) is 6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine.
What is the SMILES notation for 6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine?
The canonical SMILES for 6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine is c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc3c2sc2ccncc23)c1.
What is the InChIKey of 6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine?
The InChIKey is MGGNJIRJNBOJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2S/c1-3-16-32-28(12-1)29-13-2-4-17-33(29)37(32)26-11-6-9-24(21-26)23-8-5-10-25(20-23)27-14-7-15-30-31-22-36-19-18-34(31)38-35(27)30/h1-22H.
What are the key properties of 6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine?
6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]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-c]pyridine is sourced from PubChem (CID 59413694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).