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

C48H30N2O — CID 126580151

IUPAC12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc3c4ccc5c6ccccc6n(-c6ccccc6)c5c4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3c2)cc1
InChIInChI=1S/C48H30N2O/c1-3-12-31(13-4-1)33-24-27-38-41-29-28-40-37-16-7-9-20-43(37)49(34-14-5-2-6-15-34)46(40)47(41)50(44(38)30-33)35-25-22-32(23-26-35)36-18-11-19-42-39-17-8-10-21-45(39)51-48(36)42/h1-30H
InChIKeyFUYWHNZMZFPKMF-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

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

12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole (PubChem CID 126580151) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
PubChem CID126580151
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc3c4ccc5c6ccccc6n(-c6ccccc6)c5c4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3c2)cc1
InChIInChI=1S/C48H30N2O/c1-3-12-31(13-4-1)33-24-27-38-41-29-28-40-37-16-7-9-20-43(37)49(34-14-5-2-6-15-34)46(40)47(41)50(44(38)30-33)35-25-22-32(23-26-35)36-18-11-19-42-39-17-8-10-21-45(39)51-48(36)42/h1-30H
InChIKeyFUYWHNZMZFPKMF-UHFFFAOYSA-N
XLogP13.11
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 90191500
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
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
CID 122492294
11-phenyl-12-(6-phenyldibenzofuran-3-yl)indolo[2,3-a]carbazole
CID 122594951
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
2,7-di(dibenzofuran-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496633
12-(4-dibenzofuran-4-ylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 126580189
2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137474165
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994

Frequently Asked Questions

What is the IUPAC name of 12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole (CID 126580151) is 12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole is c1ccc(-c2ccc3c4ccc5c6ccccc6n(-c6ccccc6)c5c4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3c2)cc1.
What is the InChIKey of 12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole?
The InChIKey is FUYWHNZMZFPKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-12-31(13-4-1)33-24-27-38-41-29-28-40-37-16-7-9-20-43(37)49(34-14-5-2-6-15-34)46(40)47(41)50(44(38)30-33)35-25-22-32(23-26-35)36-18-11-19-42-39-17-8-10-21-45(39)51-48(36)42/h1-30H.
What are the key properties of 12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole?
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole has a molecular weight of 650.78 g/mol, XLogP of 13.11, 4 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)-2,11-diphenylindolo[2,3-a]carbazole is sourced from PubChem (CID 126580151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).