2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole

C51H37N5 — CID 176642564

IUPAC2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
SMILESCC(C)(c1ccccc1)c1cccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)cccc32)c1
InChIInChI=1S/C51H37N5/c1-51(2,34-15-4-3-5-16-34)35-17-12-18-36(32-35)55-45-26-14-21-37(49(45)54-50(55)42-23-13-22-41-38-19-6-8-24-43(38)53-48(41)42)33-28-29-40-39-20-7-9-25-44(39)56(46(40)31-33)47-27-10-11-30-52-47/h3-32,53H,1-2H3
InChIKeyJHNQRINZWHFGIX-UHFFFAOYSA-N
MW719.89 g/mol
LogP12.81
Rot. Bonds6

About 2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole

2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole (PubChem CID 176642564) 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-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
PubChem CID176642564
Molecular FormulaC51H37N5
Molecular Weight719.89 g/mol
Exact Mass719.30
IUPAC Name2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
SMILESCC(C)(c1ccccc1)c1cccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)cccc32)c1
InChIInChI=1S/C51H37N5/c1-51(2,34-15-4-3-5-16-34)35-17-12-18-36(32-35)55-45-26-14-21-37(49(45)54-50(55)42-23-13-22-41-38-19-6-8-24-43(38)53-48(41)42)33-28-29-40-39-20-7-9-25-44(39)56(46(40)31-33)47-27-10-11-30-52-47/h3-32,53H,1-2H3
InChIKeyJHNQRINZWHFGIX-UHFFFAOYSA-N
XLogP12.81
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.89
LogP ≤ 512.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176643522
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
CID 176642732
2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642472
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)-6-methyl-1-phenylbenzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642444
7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole
CID 176643262
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
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-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
CID 176643299
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
9-[1-(3-tert-butylphenyl)-2-(9H-carbazol-1-yl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole
CID 176642476
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole (CID 176642564) is 2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole is CC(C)(c1ccccc1)c1cccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)cccc32)c1.
What is the InChIKey of 2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole?
The InChIKey is JHNQRINZWHFGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N5/c1-51(2,34-15-4-3-5-16-34)35-17-12-18-36(32-35)55-45-26-14-21-37(49(45)54-50(55)42-23-13-22-41-38-19-6-8-24-43(38)53-48(41)42)33-28-29-40-39-20-7-9-25-44(39)56(46(40)31-33)47-27-10-11-30-52-47/h3-32,53H,1-2H3.
What are the key properties of 2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole?
2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole has a molecular weight of 719.89 g/mol, XLogP of 12.81, 6 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-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 176642564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).