9-phenyl-3-[8-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1H-indol-2-yl)phenyl]dibenzofuran-2-yl]carbazole

C63H40N4O — CID 123566588

IUPAC9-phenyl-3-[8-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1H-indol-2-yl)phenyl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2c(-c3cc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)[nH]c3ccccc23)cc1
InChIInChI=1S/C63H40N4O/c1-4-16-40(17-5-1)61-50-23-10-12-24-54(50)64-62(61)45-34-44(35-46(36-45)63-65-55-25-13-15-27-58(55)67(63)48-20-8-3-9-21-48)43-30-33-60-53(39-43)52-38-42(29-32-59(52)68-60)41-28-31-57-51(37-41)49-22-11-14-26-56(49)66(57)47-18-6-2-7-19-47/h1-39,64H
InChIKeyBPRDQIQJTGNNQG-UHFFFAOYSA-N
MW869.04 g/mol
LogP16.84
Rot. Bonds7

About 9-phenyl-3-[8-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1H-indol-2-yl)phenyl]dibenzofuran-2-yl]carbazole

9-phenyl-3-[8-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1H-indol-2-yl)phenyl]dibenzofuran-2-yl]carbazole (PubChem CID 123566588) has the molecular formula C63H40N4O and a molecular weight of 869.04 g/mol. Its IUPAC name is 9-phenyl-3-[8-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1H-indol-2-yl)phenyl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[8-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1H-indol-2-yl)phenyl]dibenzofuran-2-yl]carbazole
PubChem CID123566588
Molecular FormulaC63H40N4O
Molecular Weight869.04 g/mol
Exact Mass868.32
IUPAC Name9-phenyl-3-[8-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1H-indol-2-yl)phenyl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2c(-c3cc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)[nH]c3ccccc23)cc1
InChIInChI=1S/C63H40N4O/c1-4-16-40(17-5-1)61-50-23-10-12-24-54(50)64-62(61)45-34-44(35-46(36-45)63-65-55-25-13-15-27-58(55)67(63)48-20-8-3-9-21-48)43-30-33-60-53(39-43)52-38-42(29-32-59(52)68-60)41-28-31-57-51(37-41)49-22-11-14-26-56(49)66(57)47-18-6-2-7-19-47/h1-39,64H
InChIKeyBPRDQIQJTGNNQG-UHFFFAOYSA-N
XLogP16.84
TPSA51.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.04
LogP ≤ 516.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-phenyl-3-[8-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1H-indol-2-yl)phenyl]dibenzofuran-2-yl]carbazole 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

4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol
CID 135403990
Fgi-103
CID 5477931
2-Dibenzofuran-2-yl-1H-benzoimidazole-5-carboxylic acid amide
CID 11427396
2-[4-[5-(1H-benzimidazol-2-yl)benzofuran-2-yl]phenyl]-1H-benzimidazole
CID 25139629
2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzofuran-5-yl]-1H-benzimidazole
CID 25139630
2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)benzofuran-2-yl]phenyl]-1H-benzimidazole
CID 25139631
2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide
CID 25259503
2-(4-dibenzofuran-4-yl-1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1H-benzimidazole-4-carboxamide
CID 44590920
3-(5-{8-[2-(3-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzo[b,d]furan-2-yl}-4-phenyl-1H-imidazol-2-yl)phenol
CID 135495693
N-cyclohexyl-2-(4-oxo-2-phenyl-chromen-6-yl)-3H-benzimidazole-5-carboxamidine
CID 4915608
2-[(E)-2-[5-(4-methoxy-3,5-dimethylphenyl)furan-2-yl]ethenyl]-1H-benzimidazole
CID 44435504
1H-Benzimidazole-5-carboximidamide, 2,2'-(2,5-furandiyldi-4,1-phenylene)bis(N-cyclopentyl-
CID 135499488

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[8-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1H-indol-2-yl)phenyl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-phenyl-3-[8-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1H-indol-2-yl)phenyl]dibenzofuran-2-yl]carbazole (CID 123566588) is 9-phenyl-3-[8-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1H-indol-2-yl)phenyl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[8-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1H-indol-2-yl)phenyl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[8-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1H-indol-2-yl)phenyl]dibenzofuran-2-yl]carbazole is c1ccc(-c2c(-c3cc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)[nH]c3ccccc23)cc1.
What is the InChIKey of 9-phenyl-3-[8-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1H-indol-2-yl)phenyl]dibenzofuran-2-yl]carbazole?
The InChIKey is BPRDQIQJTGNNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N4O/c1-4-16-40(17-5-1)61-50-23-10-12-24-54(50)64-62(61)45-34-44(35-46(36-45)63-65-55-25-13-15-27-58(55)67(63)48-20-8-3-9-21-48)43-30-33-60-53(39-43)52-38-42(29-32-59(52)68-60)41-28-31-57-51(37-41)49-22-11-14-26-56(49)66(57)47-18-6-2-7-19-47/h1-39,64H.
What are the key properties of 9-phenyl-3-[8-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1H-indol-2-yl)phenyl]dibenzofuran-2-yl]carbazole?
9-phenyl-3-[8-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1H-indol-2-yl)phenyl]dibenzofuran-2-yl]carbazole has a molecular weight of 869.04 g/mol, XLogP of 16.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[8-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1H-indol-2-yl)phenyl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 123566588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).