2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole

C82H53N7 — CID 167404005

IUPAC2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole
SMILESCc1c(-c2ccc3c(c2)-n2c(nc4ccc(-c5ccccc5)cc42)C3c2ccccc2)c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1
InChIInChI=1S/C82H53N7/c1-51-78(57-38-42-64-72(48-57)88-73-46-55(52-22-6-2-7-23-52)39-43-65(73)83-81(88)80(64)54-26-10-4-11-27-54)76(86-67-34-18-14-30-60(67)61-31-15-19-35-68(61)86)50-77(87-69-36-20-16-32-62(69)63-33-17-21-37-70(63)87)79(51)58-41-45-71-75(49-58)89-74-47-56(53-24-8-3-9-25-53)40-44-66(74)84-82(89)85(71)59-28-12-5-13-29-59/h2-50,80H,1H3
InChIKeyHCOLYIPGXINQEN-UHFFFAOYSA-N
MW1136.38 g/mol
LogP20.43
Rot. Bonds8

About 2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole

2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 167404005) has the molecular formula C82H53N7 and a molecular weight of 1136.38 g/mol. Its IUPAC name is 2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole
PubChem CID167404005
Molecular FormulaC82H53N7
Molecular Weight1136.38 g/mol
Exact Mass1135.44
IUPAC Name2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole
SMILESCc1c(-c2ccc3c(c2)-n2c(nc4ccc(-c5ccccc5)cc42)C3c2ccccc2)c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1
InChIInChI=1S/C82H53N7/c1-51-78(57-38-42-64-72(48-57)88-73-46-55(52-22-6-2-7-23-52)39-43-65(73)83-81(88)80(64)54-26-10-4-11-27-54)76(86-67-34-18-14-30-60(67)61-31-15-19-35-68(61)86)50-77(87-69-36-20-16-32-62(69)63-33-17-21-37-70(63)87)79(51)58-41-45-71-75(49-58)89-74-47-56(53-24-8-3-9-25-53)40-44-66(74)84-82(89)85(71)59-28-12-5-13-29-59/h2-50,80H,1H3
InChIKeyHCOLYIPGXINQEN-UHFFFAOYSA-N
XLogP20.43
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001136.38
LogP ≤ 520.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole 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

2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
5-[4-carbazol-9-yl-3-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-2-methyl-6-phenylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 167403626
2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile
CID 155178334
2-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 140923360
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
2,6-di(carbazol-9-yl)-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzonitrile
CID 155178332
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
5-[2,4-bis(3,6-ditert-butylcarbazol-9-yl)-5-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-3-methylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 167403966
2,6-di(carbazol-9-yl)-3,5-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzonitrile
CID 155178240
5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169077515
2-[9-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 145283704

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole (CID 167404005) is 2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole is Cc1c(-c2ccc3c(c2)-n2c(nc4ccc(-c5ccccc5)cc42)C3c2ccccc2)c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1.
What is the InChIKey of 2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole?
The InChIKey is HCOLYIPGXINQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H53N7/c1-51-78(57-38-42-64-72(48-57)88-73-46-55(52-22-6-2-7-23-52)39-43-65(73)83-81(88)80(64)54-26-10-4-11-27-54)76(86-67-34-18-14-30-60(67)61-31-15-19-35-68(61)86)50-77(87-69-36-20-16-32-62(69)63-33-17-21-37-70(63)87)79(51)58-41-45-71-75(49-58)89-74-47-56(53-24-8-3-9-25-53)40-44-66(74)84-82(89)85(71)59-28-12-5-13-29-59/h2-50,80H,1H3.
What are the key properties of 2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole?
2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 1136.38 g/mol, XLogP of 20.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 167404005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).