2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;9H-carbazole

C64H39IN10 — CID 159823303

IUPAC2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;9H-carbazole
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2n2c3ccccc3nc12.N#Cc1c(I)cccc1-n1c2ccccc2n2c3ccccc3nc12.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C32H19N5.C20H11IN4.C12H9N/c33-20-23-27(35-25-13-4-1-10-21(25)22-11-2-5-14-26(22)35)18-9-19-28(23)36-30-16-7-8-17-31(30)37-29-15-6-3-12-24(29)34-32(36)37;21-14-6-5-11-16(13(14)12-22)24-18-9-3-4-10-19(18)25-17-8-2-1-7-15(17)23-20(24)25;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-19H;1-11H;1-8,13H
InChIKeyNMMZSIKAFDQQPR-UHFFFAOYSA-N
MW1074.99 g/mol
LogP15.63
Rot. Bonds3

About 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;9H-carbazole

2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;9H-carbazole (PubChem CID 159823303) has the molecular formula C64H39IN10 and a molecular weight of 1074.99 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;9H-carbazole.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;9H-carbazole
PubChem CID159823303
Molecular FormulaC64H39IN10
Molecular Weight1074.99 g/mol
Exact Mass1074.24
IUPAC Name2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;9H-carbazole
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2n2c3ccccc3nc12.N#Cc1c(I)cccc1-n1c2ccccc2n2c3ccccc3nc12.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C32H19N5.C20H11IN4.C12H9N/c33-20-23-27(35-25-13-4-1-10-21(25)22-11-2-5-14-26(22)35)18-9-19-28(23)36-30-16-7-8-17-31(30)37-29-15-6-3-12-24(29)34-32(36)37;21-14-6-5-11-16(13(14)12-22)24-18-9-3-4-10-19(18)25-17-8-2-1-7-15(17)23-20(24)25;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-19H;1-11H;1-8,13H
InChIKeyNMMZSIKAFDQQPR-UHFFFAOYSA-N
XLogP15.63
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001074.99
LogP ≤ 515.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;9H-carbazole with MolForge

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Related Compounds

2,6-bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]benzonitrile;ethane
CID 145162378
2,6-bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]benzonitrile;(3Z)-5-methylideneocta-1,3,7-triene
CID 145162383
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile
CID 122592030
5-(2-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 122468410
5-dibenzofuran-1-ylbenzimidazolo[1,2-a]benzimidazole
CID 121420234
5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 121299899
2,6-di(carbazol-9-yl)-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzonitrile
CID 155178332
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-(2,3,4,5,6-pentakis-phenylphenyl)benzonitrile;5-[3-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 157097381
3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)benzonitrile
CID 122546141
2,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,9,11,14,16,18-nonaene-11-carbonitrile
CID 169224034
17-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-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-4-carbonitrile
CID 122546214
5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane
CID 158374242

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;9H-carbazole?
The IUPAC name of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;9H-carbazole (CID 159823303) is 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;9H-carbazole.
What is the SMILES notation for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;9H-carbazole?
The canonical SMILES for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;9H-carbazole is N#Cc1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2n2c3ccccc3nc12.N#Cc1c(I)cccc1-n1c2ccccc2n2c3ccccc3nc12.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;9H-carbazole?
The InChIKey is NMMZSIKAFDQQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N5.C20H11IN4.C12H9N/c33-20-23-27(35-25-13-4-1-10-21(25)22-11-2-5-14-26(22)35)18-9-19-28(23)36-30-16-7-8-17-31(30)37-29-15-6-3-12-24(29)34-32(36)37;21-14-6-5-11-16(13(14)12-22)24-18-9-3-4-10-19(18)25-17-8-2-1-7-15(17)23-20(24)25;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-19H;1-11H;1-8,13H.
What are the key properties of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;9H-carbazole?
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;9H-carbazole has a molecular weight of 1074.99 g/mol, XLogP of 15.63, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylbenzonitrile;2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-iodobenzonitrile;9H-carbazole is sourced from PubChem (CID 159823303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).