11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole

C48H30N2O — CID 126580169

IUPAC11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc3c4cc5c(cc4n(-c4ccccc4)c3c2)c2ccccc2n5-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C48H30N2O/c1-3-12-31(13-4-1)33-24-27-38-42-30-45-41(29-46(42)50(44(38)28-33)34-14-5-2-6-15-34)37-16-7-9-20-43(37)49(45)35-25-22-32(23-26-35)36-18-11-19-40-39-17-8-10-21-47(39)51-48(36)40/h1-30H
InChIKeyJBNCEVFPMAJOFP-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

About 11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole

11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole (PubChem CID 126580169) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
PubChem CID126580169
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc3c4cc5c(cc4n(-c4ccccc4)c3c2)c2ccccc2n5-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C48H30N2O/c1-3-12-31(13-4-1)33-24-27-38-42-30-45-41(29-46(42)50(44(38)28-33)34-14-5-2-6-15-34)37-16-7-9-20-43(37)49(45)35-25-22-32(23-26-35)36-18-11-19-40-39-17-8-10-21-47(39)51-48(36)40/h1-30H
InChIKeyJBNCEVFPMAJOFP-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-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
CID 122492294
5-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-3,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-11-naphthalen-2-ylindolo[3,2-b]carbazole
CID 159976213
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
2,7-di(dibenzofuran-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496633
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
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
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492307
5-(3-dibenzofuran-4-ylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 171414718
9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole
CID 170285075

Frequently Asked Questions

What is the IUPAC name of 11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole?
The IUPAC name of 11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole (CID 126580169) is 11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole is c1ccc(-c2ccc3c4cc5c(cc4n(-c4ccccc4)c3c2)c2ccccc2n5-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole?
The InChIKey is JBNCEVFPMAJOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-12-31(13-4-1)33-24-27-38-42-30-45-41(29-46(42)50(44(38)28-33)34-14-5-2-6-15-34)37-16-7-9-20-43(37)49(45)35-25-22-32(23-26-35)36-18-11-19-40-39-17-8-10-21-47(39)51-48(36)40/h1-30H.
What are the key properties of 11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole?
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]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 11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole is sourced from PubChem (CID 126580169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).