2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole

C55H38N4 — CID 153285674

IUPAC2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole
SMILESCn1c(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccccn5)c4)c3c2)nc2ccc(-c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C55H38N4/c1-58-54-35-43(41-23-19-39(20-24-41)37-12-4-2-5-13-37)28-30-51(54)57-55(58)44-27-29-49-48-16-8-9-18-52(48)59(53(49)36-44)47-33-45(32-46(34-47)50-17-10-11-31-56-50)42-25-21-40(22-26-42)38-14-6-3-7-15-38/h2-36H,1H3
InChIKeyHOTGQQHATUZRKE-UHFFFAOYSA-N
MW754.94 g/mol
LogP14.07
Rot. Bonds7

About 2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole

2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole (PubChem CID 153285674) has the molecular formula C55H38N4 and a molecular weight of 754.94 g/mol. Its IUPAC name is 2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole.

Molecular Properties

Compound Name2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole
PubChem CID153285674
Molecular FormulaC55H38N4
Molecular Weight754.94 g/mol
Exact Mass754.31
IUPAC Name2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole
SMILESCn1c(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccccn5)c4)c3c2)nc2ccc(-c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C55H38N4/c1-58-54-35-43(41-23-19-39(20-24-41)37-12-4-2-5-13-37)28-30-51(54)57-55(58)44-27-29-49-48-16-8-9-18-52(48)59(53(49)36-44)47-33-45(32-46(34-47)50-17-10-11-31-56-50)42-25-21-40(22-26-42)38-14-6-3-7-15-38/h2-36H,1H3
InChIKeyHOTGQQHATUZRKE-UHFFFAOYSA-N
XLogP14.07
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.94
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole
CID 142328090
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285580
2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328473
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-7-pyrrol-1-ylcarbazole
CID 142329038
2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142329407
16-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene
CID 153020194
9-(3,5-dipyridin-2-ylphenyl)-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221618
9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289394
2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole
CID 142329290
2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 134252122
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289395

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole?
The IUPAC name of 2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole (CID 153285674) is 2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole.
What is the SMILES notation for 2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole?
The canonical SMILES for 2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole is Cn1c(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccccn5)c4)c3c2)nc2ccc(-c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole?
The InChIKey is HOTGQQHATUZRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N4/c1-58-54-35-43(41-23-19-39(20-24-41)37-12-4-2-5-13-37)28-30-51(54)57-55(58)44-27-29-49-48-16-8-9-18-52(48)59(53(49)36-44)47-33-45(32-46(34-47)50-17-10-11-31-56-50)42-25-21-40(22-26-42)38-14-6-3-7-15-38/h2-36H,1H3.
What are the key properties of 2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole?
2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole has a molecular weight of 754.94 g/mol, XLogP of 14.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole is sourced from PubChem (CID 153285674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).