5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole

C54H32N2S2 — CID 172515282

IUPAC5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
SMILESc1cc(-c2cccc3c2sc2ccccc23)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c23)c1
InChIInChI=1S/C54H32N2S2/c1-5-25-46-39(17-1)42-29-30-48-51(52(42)56(46)36-16-10-14-34(32-36)38-22-12-24-44-41-19-4-8-28-50(41)58-54(38)44)45-20-2-6-26-47(45)55(48)35-15-9-13-33(31-35)37-21-11-23-43-40-18-3-7-27-49(40)57-53(37)43/h1-32H
InChIKeyALGIYXCIUMGHME-UHFFFAOYSA-N
MW773.00 g/mol
LogP15.95
Rot. Bonds4

About 5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole

5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole (PubChem CID 172515282) has the molecular formula C54H32N2S2 and a molecular weight of 773.00 g/mol. Its IUPAC name is 5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
PubChem CID172515282
Molecular FormulaC54H32N2S2
Molecular Weight773.00 g/mol
Exact Mass772.20
IUPAC Name5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
SMILESc1cc(-c2cccc3c2sc2ccccc23)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c23)c1
InChIInChI=1S/C54H32N2S2/c1-5-25-46-39(17-1)42-29-30-48-51(52(42)56(46)36-16-10-14-34(32-36)38-22-12-24-44-41-19-4-8-28-50(41)58-54(38)44)45-20-2-6-26-47(45)55(48)35-15-9-13-33(31-35)37-21-11-23-43-40-18-3-7-27-49(40)57-53(37)43/h1-32H
InChIKeyALGIYXCIUMGHME-UHFFFAOYSA-N
XLogP15.95
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.00
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
7-(3-dibenzothiophen-4-ylphenyl)-5,12-diphenylindolo[3,2-a]carbazole;12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 159461030
12-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 159576095
12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole
CID 146533062
12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole
CID 118504650
5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole
CID 168744298
5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504656
12-dibenzothiophen-4-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole
CID 171414814
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
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
12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 171414705

Frequently Asked Questions

What is the IUPAC name of 5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole (CID 172515282) is 5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole is c1cc(-c2cccc3c2sc2ccccc23)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c23)c1.
What is the InChIKey of 5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole?
The InChIKey is ALGIYXCIUMGHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2S2/c1-5-25-46-39(17-1)42-29-30-48-51(52(42)56(46)36-16-10-14-34(32-36)38-22-12-24-44-41-19-4-8-28-50(41)58-54(38)44)45-20-2-6-26-47(45)55(48)35-15-9-13-33(31-35)37-21-11-23-43-40-18-3-7-27-49(40)57-53(37)43/h1-32H.
What are the key properties of 5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole?
5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole has a molecular weight of 773.00 g/mol, XLogP of 15.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 172515282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).