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

C54H43N5 — CID 176642714

IUPAC2-[2-(9H-carbazol-1-yl)-6-methyl-1-(3-methylphenyl)benzimidazol-4-yl]-6-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
SMILESCc1cccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4ccc5c6cc(C)ccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)cc(C)cc32)c1
InChIInChI=1S/C54H43N5/c1-33-13-11-16-39(27-33)58-49-30-35(3)29-44(52(49)57-53(58)43-19-12-18-42-40-17-9-10-20-46(40)56-51(42)43)36-22-23-41-45-28-34(2)21-24-47(45)59(48(41)31-36)50-32-38(25-26-55-50)54(4,5)37-14-7-6-8-15-37/h6-32,56H,1-5H3
InChIKeyROGBDVFEDOARBU-UHFFFAOYSA-N
MW761.97 g/mol
LogP13.74
Rot. Bonds6

About 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

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 (PubChem CID 176642714) has the molecular formula C54H43N5 and a molecular weight of 761.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[2-(9H-carbazol-1-yl)-6-methyl-1-(3-methylphenyl)benzimidazol-4-yl]-6-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
PubChem CID176642714
Molecular FormulaC54H43N5
Molecular Weight761.97 g/mol
Exact Mass761.35
IUPAC Name2-[2-(9H-carbazol-1-yl)-6-methyl-1-(3-methylphenyl)benzimidazol-4-yl]-6-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
SMILESCc1cccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4ccc5c6cc(C)ccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)cc(C)cc32)c1
InChIInChI=1S/C54H43N5/c1-33-13-11-16-39(27-33)58-49-30-35(3)29-44(52(49)57-53(58)43-19-12-18-42-40-17-9-10-20-46(40)56-51(42)43)36-22-23-41-45-28-34(2)21-24-47(45)59(48(41)31-36)50-32-38(25-26-55-50)54(4,5)37-14-7-6-8-15-37/h6-32,56H,1-5H3
InChIKeyROGBDVFEDOARBU-UHFFFAOYSA-N
XLogP13.74
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.97
LogP ≤ 513.74
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-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
CID 176642732
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-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
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
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
6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 176643493
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
1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 176642529
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-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642472

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4ccc5c6cc(C)ccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)cc(C)cc32)c1.
What is the InChIKey of 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?
The InChIKey is ROGBDVFEDOARBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N5/c1-33-13-11-16-39(27-33)58-49-30-35(3)29-44(52(49)57-53(58)43-19-12-18-42-40-17-9-10-20-46(40)56-51(42)43)36-22-23-41-45-28-34(2)21-24-47(45)59(48(41)31-36)50-32-38(25-26-55-50)54(4,5)37-14-7-6-8-15-37/h6-32,56H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 761.97 g/mol, XLogP of 13.74, 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)-6-methyl-1-(3-methylphenyl)benzimidazol-4-yl]-6-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 176642714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).