9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole

C53H33N3S — CID 146187552

IUPAC9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cccnc5n6-c5cccc6c5sc5ccccc56)ccc43)c2)cc1
InChIInChI=1S/C53H33N3S/c1-3-13-34(14-4-1)38-29-39(35-15-5-2-6-16-35)31-40(30-38)55-47-21-9-7-17-41(47)45-32-36(24-26-48(45)55)37-25-27-49-46(33-37)44-20-12-28-54-53(44)56(49)50-22-11-19-43-42-18-8-10-23-51(42)57-52(43)50/h1-33H
InChIKeyWGZDUWHDAYFVHI-UHFFFAOYSA-N
MW743.94 g/mol
LogP14.64
Rot. Bonds5

About 9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole

9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole (PubChem CID 146187552) has the molecular formula C53H33N3S and a molecular weight of 743.94 g/mol. Its IUPAC name is 9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole
PubChem CID146187552
Molecular FormulaC53H33N3S
Molecular Weight743.94 g/mol
Exact Mass743.24
IUPAC Name9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cccnc5n6-c5cccc6c5sc5ccccc56)ccc43)c2)cc1
InChIInChI=1S/C53H33N3S/c1-3-13-34(14-4-1)38-29-39(35-15-5-2-6-16-35)31-40(30-38)55-47-21-9-7-17-41(47)45-32-36(24-26-48(45)55)37-25-27-49-46(33-37)44-20-12-28-54-53(44)56(49)50-22-11-19-43-42-18-8-10-23-51(42)57-52(43)50/h1-33H
InChIKeyWGZDUWHDAYFVHI-UHFFFAOYSA-N
XLogP14.64
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.94
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole
CID 70847781
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
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
3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118289124
9-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]pyrido[2,3-b]indole
CID 156578047
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
CID 71005186
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole (CID 146187552) is 9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cccnc5n6-c5cccc6c5sc5ccccc56)ccc43)c2)cc1.
What is the InChIKey of 9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole?
The InChIKey is WGZDUWHDAYFVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3S/c1-3-13-34(14-4-1)38-29-39(35-15-5-2-6-16-35)31-40(30-38)55-47-21-9-7-17-41(47)45-32-36(24-26-48(45)55)37-25-27-49-46(33-37)44-20-12-28-54-53(44)56(49)50-22-11-19-43-42-18-8-10-23-51(42)57-52(43)50/h1-33H.
What are the key properties of 9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole?
9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole has a molecular weight of 743.94 g/mol, XLogP of 14.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 146187552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).