5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole

C42H26N2S — CID 118504656

IUPAC5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c32)cc1
InChIInChI=1S/C42H26N2S/c1-2-12-29(13-3-1)44-36-18-7-4-15-31(36)33-22-23-38-41(42(33)44)34-17-5-8-19-37(34)43(38)30-14-10-11-27(25-30)28-21-24-40-35(26-28)32-16-6-9-20-39(32)45-40/h1-26H
InChIKeyZQEHQDSZHDSLRF-UHFFFAOYSA-N
MW590.75 g/mol
LogP11.92
Rot. Bonds3

About 5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole

5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole (PubChem CID 118504656) has the molecular formula C42H26N2S and a molecular weight of 590.75 g/mol. Its IUPAC name is 5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
PubChem CID118504656
Molecular FormulaC42H26N2S
Molecular Weight590.75 g/mol
Exact Mass590.18
IUPAC Name5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c32)cc1
InChIInChI=1S/C42H26N2S/c1-2-12-29(13-3-1)44-36-18-7-4-15-31(36)33-22-23-38-41(42(33)44)34-17-5-8-19-37(34)43(38)30-14-10-11-27(25-30)28-21-24-40-35(26-28)32-16-6-9-20-39(32)45-40/h1-26H
InChIKeyZQEHQDSZHDSLRF-UHFFFAOYSA-N
XLogP11.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.75
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole
CID 118041194
12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 171414705
12-dibenzothiophen-2-yl-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598840
5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
CID 170394006
12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole
CID 146533062
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 159838737

Frequently Asked Questions

What is the IUPAC name of 5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole (CID 118504656) is 5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c32)cc1.
What is the InChIKey of 5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole?
The InChIKey is ZQEHQDSZHDSLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2S/c1-2-12-29(13-3-1)44-36-18-7-4-15-31(36)33-22-23-38-41(42(33)44)34-17-5-8-19-37(34)43(38)30-14-10-11-27(25-30)28-21-24-40-35(26-28)32-16-6-9-20-39(32)45-40/h1-26H.
What are the key properties of 5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole?
5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole has a molecular weight of 590.75 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 118504656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).