12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole

C54H34N2O — CID 90191500

IUPAC12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc4c5cc(-c6ccccc6)ccc5n(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4c2n3-c2ccccc2)cc1
InChIInChI=1S/C54H34N2O/c1-4-13-35(14-5-1)38-25-31-49-47(33-38)44-29-30-45-48-34-39(36-15-6-2-7-16-36)26-32-50(48)56(53(45)52(44)55(49)40-17-8-3-9-18-40)41-27-23-37(24-28-41)42-20-12-21-46-43-19-10-11-22-51(43)57-54(42)46/h1-34H
InChIKeyZVFQSCXKTQMJLB-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.78
Rot. Bonds5

About 12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole

12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole (PubChem CID 90191500) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is 12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole
PubChem CID90191500
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC Name12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc4c5cc(-c6ccccc6)ccc5n(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4c2n3-c2ccccc2)cc1
InChIInChI=1S/C54H34N2O/c1-4-13-35(14-5-1)38-25-31-49-47(33-38)44-29-30-45-48-34-39(36-15-6-2-7-16-36)26-32-50(48)56(53(45)52(44)55(49)40-17-8-3-9-18-40)41-27-23-37(24-28-41)42-20-12-21-46-43-19-10-11-22-51(43)57-54(42)46/h1-34H
InChIKeyZVFQSCXKTQMJLB-UHFFFAOYSA-N
XLogP14.78
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
12-(4-dibenzofuran-4-ylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 126580189
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90191508
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
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
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
6-dibenzofuran-4-yl-1,3,9-triphenylcarbazole
CID 123910870
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072359
4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965

Frequently Asked Questions

What is the IUPAC name of 12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole (CID 90191500) is 12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole is c1ccc(-c2ccc3c(c2)c2ccc4c5cc(-c6ccccc6)ccc5n(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4c2n3-c2ccccc2)cc1.
What is the InChIKey of 12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole?
The InChIKey is ZVFQSCXKTQMJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-4-13-35(14-5-1)38-25-31-49-47(33-38)44-29-30-45-48-34-39(36-15-6-2-7-16-36)26-32-50(48)56(53(45)52(44)55(49)40-17-8-3-9-18-40)41-27-23-37(24-28-41)42-20-12-21-46-43-19-10-11-22-51(43)57-54(42)46/h1-34H.
What are the key properties of 12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole?
12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole has a molecular weight of 726.88 g/mol, XLogP of 14.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole is sourced from PubChem (CID 90191500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).