3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole

C66H42N2O — CID 129265423

IUPAC3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc54)c3)c2)cc1
InChIInChI=1S/C66H42N2O/c1-4-15-43(16-5-1)47-27-31-63-58(39-47)59-41-49(48-28-32-62-57(40-48)55-23-10-12-25-61(55)68(62)54-30-34-66-60(42-54)56-24-11-13-26-65(56)69-66)29-33-64(59)67(63)53-22-14-21-46(38-53)52-36-50(44-17-6-2-7-18-44)35-51(37-52)45-19-8-3-9-20-45/h1-42H
InChIKeyBOKREJDJLQSOLG-UHFFFAOYSA-N
MW879.08 g/mol
LogP18.12
Rot. Bonds7

About 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole

3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole (PubChem CID 129265423) has the molecular formula C66H42N2O and a molecular weight of 879.08 g/mol. Its IUPAC name is 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole.

Molecular Properties

Compound Name3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
PubChem CID129265423
Molecular FormulaC66H42N2O
Molecular Weight879.08 g/mol
Exact Mass878.33
IUPAC Name3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc54)c3)c2)cc1
InChIInChI=1S/C66H42N2O/c1-4-15-43(16-5-1)47-27-31-63-58(39-47)59-41-49(48-28-32-62-57(40-48)55-23-10-12-25-61(55)68(62)54-30-34-66-60(42-54)56-24-11-13-26-65(56)69-66)29-33-64(59)67(63)53-22-14-21-46(38-53)52-36-50(44-17-6-2-7-18-44)35-51(37-52)45-19-8-3-9-20-45/h1-42H
InChIKeyBOKREJDJLQSOLG-UHFFFAOYSA-N
XLogP18.12
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.08
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-carbazol-9-yl-9-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]carbazole;3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6,9-diphenylcarbazole;3-dibenzofuran-2-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 159930551
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole
CID 71100014
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole?
The IUPAC name of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole (CID 129265423) is 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole.
What is the SMILES notation for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole?
The canonical SMILES for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc54)c3)c2)cc1.
What is the InChIKey of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole?
The InChIKey is BOKREJDJLQSOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2O/c1-4-15-43(16-5-1)47-27-31-63-58(39-47)59-41-49(48-28-32-62-57(40-48)55-23-10-12-25-61(55)68(62)54-30-34-66-60(42-54)56-24-11-13-26-65(56)69-66)29-33-64(59)67(63)53-22-14-21-46(38-53)52-36-50(44-17-6-2-7-18-44)35-51(37-52)45-19-8-3-9-20-45/h1-42H.
What are the key properties of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole?
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole has a molecular weight of 879.08 g/mol, XLogP of 18.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole is sourced from PubChem (CID 129265423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).