2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole

C51H37N5 — CID 176643299

IUPAC2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
SMILESCc1cc(C)c(-c2ccnc(-n3c4ccccc4c4ccc(-c5cccc6c5nc(-c5cccc7c5[nH]c5ccccc57)n6-c5ccccc5)cc43)c2)c(C)c1
InChIInChI=1S/C51H37N5/c1-31-27-32(2)48(33(3)28-31)35-25-26-52-47(30-35)56-44-21-10-8-16-39(44)40-24-23-34(29-46(40)56)37-17-12-22-45-50(37)54-51(55(45)36-13-5-4-6-14-36)42-19-11-18-41-38-15-7-9-20-43(38)53-49(41)42/h4-30,53H,1-3H3
InChIKeyAYVYFYQTDCANAB-UHFFFAOYSA-N
MW719.89 g/mol
LogP13.08
Rot. Bonds5

About 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole

2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole (PubChem CID 176643299) has the molecular formula C51H37N5 and a molecular weight of 719.89 g/mol. Its IUPAC name is 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
PubChem CID176643299
Molecular FormulaC51H37N5
Molecular Weight719.89 g/mol
Exact Mass719.30
IUPAC Name2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
SMILESCc1cc(C)c(-c2ccnc(-n3c4ccccc4c4ccc(-c5cccc6c5nc(-c5cccc7c5[nH]c5ccccc57)n6-c5ccccc5)cc43)c2)c(C)c1
InChIInChI=1S/C51H37N5/c1-31-27-32(2)48(33(3)28-31)35-25-26-52-47(30-35)56-44-21-10-8-16-39(44)40-24-23-34(29-46(40)56)37-17-12-22-45-50(37)54-51(55(45)36-13-5-4-6-14-36)42-19-11-18-41-38-15-7-9-20-43(38)53-49(41)42/h4-30,53H,1-3H3
InChIKeyAYVYFYQTDCANAB-UHFFFAOYSA-N
XLogP13.08
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.89
LogP ≤ 513.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole
CID 176642525
2-[2-(9H-carbazol-1-yl)-1-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-6-(2,4,6-trimethylphenyl)benzimidazol-4-yl]-9-(4-pyridin-4-yl-2-pyridinyl)carbazole
CID 176643474
2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642444
2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176643522
9-(4-tert-butyl-2-pyridinyl)-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-6-[2,6-di(propan-2-yl)phenyl]carbazole
CID 176642782
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
CID 176642732
6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 176643493
2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642472
2-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-7-[1-(4-methylphenyl)-2-(3-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]carbazole
CID 176643042
2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642564
2-[2-(9H-carbazol-1-yl)-6-methyl-1-(3-methylphenyl)benzimidazol-4-yl]-6-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 176642714
7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole
CID 176643262

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole?
The IUPAC name of 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole (CID 176643299) is 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole?
The canonical SMILES for 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole is Cc1cc(C)c(-c2ccnc(-n3c4ccccc4c4ccc(-c5cccc6c5nc(-c5cccc7c5[nH]c5ccccc57)n6-c5ccccc5)cc43)c2)c(C)c1.
What is the InChIKey of 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole?
The InChIKey is AYVYFYQTDCANAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N5/c1-31-27-32(2)48(33(3)28-31)35-25-26-52-47(30-35)56-44-21-10-8-16-39(44)40-24-23-34(29-46(40)56)37-17-12-22-45-50(37)54-51(55(45)36-13-5-4-6-14-36)42-19-11-18-41-38-15-7-9-20-43(38)53-49(41)42/h4-30,53H,1-3H3.
What are the key properties of 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole?
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole has a molecular weight of 719.89 g/mol, XLogP of 13.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 176643299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).