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

C103H70N6S3 — CID 159838634

IUPAC8-(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
SMILESCc1cc(-c2ccc3sc4cccnc4c3c2)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C.Cc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1-c1ccc2sc3cccnc3c2c1.c1ccc(-c2cc(-c3cccc4c3sc3cccnc34)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C37H26N2S.C35H22N2S.C31H22N2S/c1-23-20-25(26-14-18-35-32(22-26)37-36(40-35)12-7-19-38-37)13-16-28(23)29-17-15-27(21-24(29)2)39-33-10-5-3-8-30(33)31-9-4-6-11-34(31)39;1-2-10-23(11-3-1)24-20-25(27-14-8-15-30-34-33(38-35(27)30)18-9-19-36-34)22-26(21-24)37-31-16-6-4-12-28(31)29-13-5-7-17-32(29)37;1-19-17-28(33-26-10-5-3-8-22(26)23-9-4-6-11-27(23)33)20(2)16-24(19)21-13-14-29-25(18-21)31-30(34-29)12-7-15-32-31/h3-22H,1-2H3;1-22H;3-18H,1-2H3
InChIKeyNOKAKPJSKRIVQU-UHFFFAOYSA-N
MW1487.94 g/mol
LogP29.21
Rot. Bonds8

About 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

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 (PubChem CID 159838634) has the molecular formula C103H70N6S3 and a molecular weight of 1487.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID159838634
Molecular FormulaC103H70N6S3
Molecular Weight1487.94 g/mol
Exact Mass1486.48
IUPAC Name8-(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
SMILESCc1cc(-c2ccc3sc4cccnc4c3c2)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C.Cc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1-c1ccc2sc3cccnc3c2c1.c1ccc(-c2cc(-c3cccc4c3sc3cccnc34)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C37H26N2S.C35H22N2S.C31H22N2S/c1-23-20-25(26-14-18-35-32(22-26)37-36(40-35)12-7-19-38-37)13-16-28(23)29-17-15-27(21-24(29)2)39-33-10-5-3-8-30(33)31-9-4-6-11-34(31)39;1-2-10-23(11-3-1)24-20-25(27-14-8-15-30-34-33(38-35(27)30)18-9-19-36-34)22-26(21-24)37-31-16-6-4-12-28(31)29-13-5-7-17-32(29)37;1-19-17-28(33-26-10-5-3-8-22(26)23-9-4-6-11-27(23)33)20(2)16-24(19)21-13-14-29-25(18-21)31-30(34-29)12-7-15-32-31/h3-22H,1-2H3;1-22H;3-18H,1-2H3
InChIKeyNOKAKPJSKRIVQU-UHFFFAOYSA-N
XLogP29.21
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001487.94
LogP ≤ 529.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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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
8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693027
8-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693074
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
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
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
9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole
CID 146187552
6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine
CID 118334713
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
CID 71005186
7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
CID 89417098
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2ccc3sc4cccnc4c3c2)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C.Cc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1-c1ccc2sc3cccnc3c2c1.c1ccc(-c2cc(-c3cccc4c3sc3cccnc34)cc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 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?
The InChIKey is NOKAKPJSKRIVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2S.C35H22N2S.C31H22N2S/c1-23-20-25(26-14-18-35-32(22-26)37-36(40-35)12-7-19-38-37)13-16-28(23)29-17-15-27(21-24(29)2)39-33-10-5-3-8-30(33)31-9-4-6-11-34(31)39;1-2-10-23(11-3-1)24-20-25(27-14-8-15-30-34-33(38-35(27)30)18-9-19-36-34)22-26(21-24)37-31-16-6-4-12-28(31)29-13-5-7-17-32(29)37;1-19-17-28(33-26-10-5-3-8-22(26)23-9-4-6-11-27(23)33)20(2)16-24(19)21-13-14-29-25(18-21)31-30(34-29)12-7-15-32-31/h3-22H,1-2H3;1-22H;3-18H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1487.94 g/mol, XLogP of 29.21, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159838634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).