9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole

C52H35N7 — CID 144705601

IUPAC9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole
SMILESCc1ccccc1-n1c(-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccccn6)cc5)cc(-c5ccc(-c6ccccn6)cc5)n4)c3c2)nc2ccccc21
InChIInChI=1S/C52H35N7/c1-34-12-2-5-17-47(34)58-49-19-7-4-16-44(49)55-51(58)39-28-29-41-40-13-3-6-18-48(40)59(50(41)32-39)52-56-45(37-24-20-35(21-25-37)42-14-8-10-30-53-42)33-46(57-52)38-26-22-36(23-27-38)43-15-9-11-31-54-43/h2-33H,1H3
InChIKeyHTMUEMXUZYVBOY-UHFFFAOYSA-N
MW757.90 g/mol
LogP12.35
Rot. Bonds7

About 9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole

9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole (PubChem CID 144705601) has the molecular formula C52H35N7 and a molecular weight of 757.90 g/mol. Its IUPAC name is 9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole.

Molecular Properties

Compound Name9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole
PubChem CID144705601
Molecular FormulaC52H35N7
Molecular Weight757.90 g/mol
Exact Mass757.30
IUPAC Name9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole
SMILESCc1ccccc1-n1c(-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccccn6)cc5)cc(-c5ccc(-c6ccccn6)cc5)n4)c3c2)nc2ccccc21
InChIInChI=1S/C52H35N7/c1-34-12-2-5-17-47(34)58-49-19-7-4-16-44(49)55-51(58)39-28-29-41-40-13-3-6-18-48(40)59(50(41)32-39)52-56-45(37-24-20-35(21-25-37)42-14-8-10-30-53-42)33-46(57-52)38-26-22-36(23-27-38)43-15-9-11-31-54-43/h2-33H,1H3
InChIKeyHTMUEMXUZYVBOY-UHFFFAOYSA-N
XLogP12.35
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.90
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

10-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-20-methylidene-21-(2-methylphenyl)-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaene
CID 144705576
1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole
CID 23399455
9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 58500911
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337
9-[4-[6-(4-pyridin-2-ylphenyl)-2-triphenylen-2-ylpyrimidin-4-yl]phenyl]carbazole
CID 121422890
2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole
CID 153285674
9-[4-(1-quinolin-8-ylbenzimidazol-2-yl)phenyl]carbazole
CID 21356976
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 157156172
5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587723
2-methyl-1-[3-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 170236086
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole
CID 142328090

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole?
The IUPAC name of 9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole (CID 144705601) is 9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole.
What is the SMILES notation for 9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole?
The canonical SMILES for 9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole is Cc1ccccc1-n1c(-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccccn6)cc5)cc(-c5ccc(-c6ccccn6)cc5)n4)c3c2)nc2ccccc21.
What is the InChIKey of 9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole?
The InChIKey is HTMUEMXUZYVBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N7/c1-34-12-2-5-17-47(34)58-49-19-7-4-16-44(49)55-51(58)39-28-29-41-40-13-3-6-18-48(40)59(50(41)32-39)52-56-45(37-24-20-35(21-25-37)42-14-8-10-30-53-42)33-46(57-52)38-26-22-36(23-27-38)43-15-9-11-31-54-43/h2-33H,1H3.
What are the key properties of 9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole?
9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole has a molecular weight of 757.90 g/mol, XLogP of 12.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole is sourced from PubChem (CID 144705601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).