3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one

C80H45N3O3 — CID 123472554

IUPAC3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one
SMILESO=C1c2ccc(-c3cc(-c4ccc5c(c4)c4ccc6c(c4n5-c4ccccc4)C(=O)c4ccccc4-6)c4oc5ccccc5c4c3)cc2-c2ccc3c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C80H45N3O3/c84-78-62-25-11-10-22-54(62)58-34-36-61-67-42-49(31-39-71(67)83(76(61)74(58)78)53-20-8-3-9-21-53)64-43-50(44-68-57-24-13-15-27-73(57)86-80(64)68)47-29-33-63-65(40-47)59-35-37-60-66-41-46(30-38-70(66)82(52-18-6-2-7-19-52)77(60)75(59)79(63)85)48-28-32-56-55-23-12-14-26-69(55)81(72(56)45-48)51-16-4-1-5-17-51/h1-45H
InChIKeyUDTYXUWRTZPKOW-UHFFFAOYSA-N
MW1096.26 g/mol
LogP20.30
Rot. Bonds6

About 3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one

3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one (PubChem CID 123472554) has the molecular formula C80H45N3O3 and a molecular weight of 1096.26 g/mol. Its IUPAC name is 3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one.

Molecular Properties

Compound Name3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one
PubChem CID123472554
Molecular FormulaC80H45N3O3
Molecular Weight1096.26 g/mol
Exact Mass1095.35
IUPAC Name3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one
SMILESO=C1c2ccc(-c3cc(-c4ccc5c(c4)c4ccc6c(c4n5-c4ccccc4)C(=O)c4ccccc4-6)c4oc5ccccc5c4c3)cc2-c2ccc3c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C80H45N3O3/c84-78-62-25-11-10-22-54(62)58-34-36-61-67-42-49(31-39-71(67)83(76(61)74(58)78)53-20-8-3-9-21-53)64-43-50(44-68-57-24-13-15-27-73(57)86-80(64)68)47-29-33-63-65(40-47)59-35-37-60-66-41-46(30-38-70(66)82(52-18-6-2-7-19-52)77(60)75(59)79(63)85)48-28-32-56-55-23-12-14-26-69(55)81(72(56)45-48)51-16-4-1-5-17-51/h1-45H
InChIKeyUDTYXUWRTZPKOW-UHFFFAOYSA-N
XLogP20.30
TPSA62.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001096.26
LogP ≤ 520.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one with MolForge

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Related Compounds

3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 118565404
4-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 161031822
3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223766
12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11,12-diphenyl-3-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole;methane
CID 158881959
3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 163417875
2-dibenzofuran-4-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzofuran-4-yl)carbazole;2-(2,8-diphenyldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159084484
2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167200544
11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 161096514
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656557
9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-phenylindolo[3,2-c]carbazole;9-dibenzofuran-4-yl-5,12-diphenylindolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 162123659
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252605

Frequently Asked Questions

What is the IUPAC name of 3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one?
The IUPAC name of 3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one (CID 123472554) is 3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one.
What is the SMILES notation for 3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one?
The canonical SMILES for 3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one is O=C1c2ccc(-c3cc(-c4ccc5c(c4)c4ccc6c(c4n5-c4ccccc4)C(=O)c4ccccc4-6)c4oc5ccccc5c4c3)cc2-c2ccc3c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one?
The InChIKey is UDTYXUWRTZPKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H45N3O3/c84-78-62-25-11-10-22-54(62)58-34-36-61-67-42-49(31-39-71(67)83(76(61)74(58)78)53-20-8-3-9-21-53)64-43-50(44-68-57-24-13-15-27-73(57)86-80(64)68)47-29-33-63-65(40-47)59-35-37-60-66-41-46(30-38-70(66)82(52-18-6-2-7-19-52)77(60)75(59)79(63)85)48-28-32-56-55-23-12-14-26-69(55)81(72(56)45-48)51-16-4-1-5-17-51/h1-45H.
What are the key properties of 3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one?
3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one has a molecular weight of 1096.26 g/mol, XLogP of 20.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one is sourced from PubChem (CID 123472554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).