2-[11-(4-dibenzofuran-1-ylphenyl)-12-phenylindolo[2,3-a]carbazol-3-yl]-12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole

C84H50N4OS — CID 130369518

IUPAC2-[11-(4-dibenzofuran-1-ylphenyl)-12-phenylindolo[2,3-a]carbazol-3-yl]-12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c6ccc7c8ccccc8n(-c8ccccc8)c7c6n(-c6ccc(-c7cccc8sc9ccccc9c78)cc6)c5c4)cc3c3ccc4c5ccccc5n(-c5ccc(-c6cccc7oc8ccccc8c67)cc5)c4c32)cc1
InChIInChI=1S/C84H50N4OS/c1-3-17-55(18-4-1)85-71-27-11-7-21-61(71)64-44-45-66-63-43-37-54(50-74(63)88(83(66)81(64)85)58-41-35-52(36-42-58)60-26-16-32-78-80(60)69-24-10-14-31-77(69)90-78)53-38-48-73-70(49-53)67-47-46-65-62-22-8-12-28-72(62)87(82(65)84(67)86(73)56-19-5-2-6-20-56)57-39-33-51(34-40-57)59-25-15-30-76-79(59)68-23-9-13-29-75(68)89-76/h1-50H
InChIKeySAXMOJCTSSTLSI-UHFFFAOYSA-N
MW1163.42 g/mol
LogP23.34
Rot. Bonds7

About 2-[11-(4-dibenzofuran-1-ylphenyl)-12-phenylindolo[2,3-a]carbazol-3-yl]-12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole

2-[11-(4-dibenzofuran-1-ylphenyl)-12-phenylindolo[2,3-a]carbazol-3-yl]-12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole (PubChem CID 130369518) has the molecular formula C84H50N4OS and a molecular weight of 1163.42 g/mol. Its IUPAC name is 2-[11-(4-dibenzofuran-1-ylphenyl)-12-phenylindolo[2,3-a]carbazol-3-yl]-12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name2-[11-(4-dibenzofuran-1-ylphenyl)-12-phenylindolo[2,3-a]carbazol-3-yl]-12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
PubChem CID130369518
Molecular FormulaC84H50N4OS
Molecular Weight1163.42 g/mol
Exact Mass1162.37
IUPAC Name2-[11-(4-dibenzofuran-1-ylphenyl)-12-phenylindolo[2,3-a]carbazol-3-yl]-12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c6ccc7c8ccccc8n(-c8ccccc8)c7c6n(-c6ccc(-c7cccc8sc9ccccc9c78)cc6)c5c4)cc3c3ccc4c5ccccc5n(-c5ccc(-c6cccc7oc8ccccc8c67)cc5)c4c32)cc1
InChIInChI=1S/C84H50N4OS/c1-3-17-55(18-4-1)85-71-27-11-7-21-61(71)64-44-45-66-63-43-37-54(50-74(63)88(83(66)81(64)85)58-41-35-52(36-42-58)60-26-16-32-78-80(60)69-24-10-14-31-77(69)90-78)53-38-48-73-70(49-53)67-47-46-65-62-22-8-12-28-72(62)87(82(65)84(67)86(73)56-19-5-2-6-20-56)57-39-33-51(34-40-57)59-25-15-30-76-79(59)68-23-9-13-29-75(68)89-76/h1-50H
InChIKeySAXMOJCTSSTLSI-UHFFFAOYSA-N
XLogP23.34
TPSA32.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001163.42
LogP ≤ 523.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[11-(4-dibenzofuran-1-ylphenyl)-12-phenylindolo[2,3-a]carbazol-3-yl]-12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[11-(4-dibenzofuran-1-ylphenyl)-12-phenylindolo[2,3-a]carbazol-3-yl]-12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 2-[11-(4-dibenzofuran-1-ylphenyl)-12-phenylindolo[2,3-a]carbazol-3-yl]-12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole (CID 130369518) is 2-[11-(4-dibenzofuran-1-ylphenyl)-12-phenylindolo[2,3-a]carbazol-3-yl]-12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 2-[11-(4-dibenzofuran-1-ylphenyl)-12-phenylindolo[2,3-a]carbazol-3-yl]-12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 2-[11-(4-dibenzofuran-1-ylphenyl)-12-phenylindolo[2,3-a]carbazol-3-yl]-12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole is c1ccc(-n2c3ccc(-c4ccc5c6ccc7c8ccccc8n(-c8ccccc8)c7c6n(-c6ccc(-c7cccc8sc9ccccc9c78)cc6)c5c4)cc3c3ccc4c5ccccc5n(-c5ccc(-c6cccc7oc8ccccc8c67)cc5)c4c32)cc1.
What is the InChIKey of 2-[11-(4-dibenzofuran-1-ylphenyl)-12-phenylindolo[2,3-a]carbazol-3-yl]-12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole?
The InChIKey is SAXMOJCTSSTLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H50N4OS/c1-3-17-55(18-4-1)85-71-27-11-7-21-61(71)64-44-45-66-63-43-37-54(50-74(63)88(83(66)81(64)85)58-41-35-52(36-42-58)60-26-16-32-78-80(60)69-24-10-14-31-77(69)90-78)53-38-48-73-70(49-53)67-47-46-65-62-22-8-12-28-72(62)87(82(65)84(67)86(73)56-19-5-2-6-20-56)57-39-33-51(34-40-57)59-25-15-30-76-79(59)68-23-9-13-29-75(68)89-76/h1-50H.
What are the key properties of 2-[11-(4-dibenzofuran-1-ylphenyl)-12-phenylindolo[2,3-a]carbazol-3-yl]-12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole?
2-[11-(4-dibenzofuran-1-ylphenyl)-12-phenylindolo[2,3-a]carbazol-3-yl]-12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole has a molecular weight of 1163.42 g/mol, XLogP of 23.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11-(4-dibenzofuran-1-ylphenyl)-12-phenylindolo[2,3-a]carbazol-3-yl]-12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 130369518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).