4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[3,2-b]pyridine

C35H22N2S — CID 122693097

IUPAC4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc(-c2cccc3c2sc2c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccnc23)cc1
InChIInChI=1S/C35H22N2S/c1-2-10-23(11-3-1)26-16-9-17-30-33-35(38-34(26)30)27(20-21-36-33)24-12-8-13-25(22-24)37-31-18-6-4-14-28(31)29-15-5-7-19-32(29)37/h1-22H
InChIKeyFFQXPBCDUGPYMF-UHFFFAOYSA-N
MW502.64 g/mol
LogP9.88
Rot. Bonds3

About 4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[3,2-b]pyridine

4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[3,2-b]pyridine (PubChem CID 122693097) has the molecular formula C35H22N2S and a molecular weight of 502.64 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[3,2-b]pyridine
PubChem CID122693097
Molecular FormulaC35H22N2S
Molecular Weight502.64 g/mol
Exact Mass502.15
IUPAC Name4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc(-c2cccc3c2sc2c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccnc23)cc1
InChIInChI=1S/C35H22N2S/c1-2-10-23(11-3-1)26-16-9-17-30-33-35(38-34(26)30)27(20-21-36-33)24-12-8-13-25(22-24)37-31-18-6-4-14-28(31)29-15-5-7-19-32(29)37/h1-22H
InChIKeyFFQXPBCDUGPYMF-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

4,6-bis(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine
CID 146606250
6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693061
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole
CID 126580282
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
CID 89417098
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
CID 87156299
2,4-diphenyl-6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 142550989
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877
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 4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[3,2-b]pyridine (CID 122693097) is 4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[3,2-b]pyridine is c1ccc(-c2cccc3c2sc2c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccnc23)cc1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is FFQXPBCDUGPYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2S/c1-2-10-23(11-3-1)26-16-9-17-30-33-35(38-34(26)30)27(20-21-36-33)24-12-8-13-25(22-24)37-31-18-6-4-14-28(31)29-15-5-7-19-32(29)37/h1-22H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[3,2-b]pyridine?
4-(3-carbazol-9-ylphenyl)-6-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 4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 122693097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).