3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole

C87H57N9 — CID 144924373

IUPAC3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
SMILESC1=CC(n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)c4)c3)nc3ccccc32)=CCC1
InChIInChI=1S/C87H57N9/c1-3-25-61(26-4-1)94-82-43-20-12-35-73(82)88-85(94)58-48-59(86-89-74-36-13-21-44-83(74)95(86)62-27-5-2-6-28-62)50-60(49-58)87-90-75-37-14-22-45-84(75)96(87)63-29-23-24-56(51-63)57-46-47-81-72(52-57)71-34-11-19-42-80(71)93(81)66-54-64(91-76-38-15-7-30-67(76)68-31-8-16-39-77(68)91)53-65(55-66)92-78-40-17-9-32-69(78)70-33-10-18-41-79(70)92/h1,3-5,7-55H,2,6H2
InChIKeyJVZVUWJMXJMSRY-UHFFFAOYSA-N
MW1228.48 g/mol
LogP21.86
Rot. Bonds10

About 3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole

3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole (PubChem CID 144924373) has the molecular formula C87H57N9 and a molecular weight of 1228.48 g/mol. Its IUPAC name is 3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
PubChem CID144924373
Molecular FormulaC87H57N9
Molecular Weight1228.48 g/mol
Exact Mass1227.47
IUPAC Name3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
SMILESC1=CC(n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)c4)c3)nc3ccccc32)=CCC1
InChIInChI=1S/C87H57N9/c1-3-25-61(26-4-1)94-82-43-20-12-35-73(82)88-85(94)58-48-59(86-89-74-36-13-21-44-83(74)95(86)62-27-5-2-6-28-62)50-60(49-58)87-90-75-37-14-22-45-84(75)96(87)63-29-23-24-56(51-63)57-46-47-81-72(52-57)71-34-11-19-42-80(71)93(81)66-54-64(91-76-38-15-7-30-67(76)68-31-8-16-39-77(68)91)53-65(55-66)92-78-40-17-9-32-69(78)70-33-10-18-41-79(70)92/h1,3-5,7-55H,2,6H2
InChIKeyJVZVUWJMXJMSRY-UHFFFAOYSA-N
XLogP21.86
TPSA68.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001228.48
LogP ≤ 521.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole with MolForge

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Related Compounds

3-[3-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 126493490
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-cyclohexa-1,5-dien-1-ylbenzimidazole
CID 146493059
9-[3-carbazol-9-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;N-[4-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 158130026
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 166723458
9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 58500865
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole?
The IUPAC name of 3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole (CID 144924373) is 3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole.
What is the SMILES notation for 3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole?
The canonical SMILES for 3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole is C1=CC(n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)c4)c3)nc3ccccc32)=CCC1.
What is the InChIKey of 3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole?
The InChIKey is JVZVUWJMXJMSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H57N9/c1-3-25-61(26-4-1)94-82-43-20-12-35-73(82)88-85(94)58-48-59(86-89-74-36-13-21-44-83(74)95(86)62-27-5-2-6-28-62)50-60(49-58)87-90-75-37-14-22-45-84(75)96(87)63-29-23-24-56(51-63)57-46-47-81-72(52-57)71-34-11-19-42-80(71)93(81)66-54-64(91-76-38-15-7-30-67(76)68-31-8-16-39-77(68)91)53-65(55-66)92-78-40-17-9-32-69(78)70-33-10-18-41-79(70)92/h1,3-5,7-55H,2,6H2.
What are the key properties of 3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole?
3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole has a molecular weight of 1228.48 g/mol, XLogP of 21.86, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole is sourced from PubChem (CID 144924373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).