9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole

C94H66N6 — CID 158119112

IUPAC9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(C(n5c6ccccc6c6ccccc65)n5c6ccccc6c6ccccc65)cc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C53H36N4.C41H30N2/c1-3-16-36(17-4-1)40-20-15-21-41(34-40)47-35-46(54-52(55-47)38-18-5-2-6-19-38)37-30-32-39(33-31-37)53(56-48-26-11-7-22-42(48)43-23-8-12-27-49(43)56)57-50-28-13-9-24-44(50)45-25-10-14-29-51(45)57;1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28/h1-35,53H;3-27H,2H2,1H3
InChIKeyFRJRIAZTLWVSDG-UHFFFAOYSA-N
MW1279.60 g/mol
LogP24.35
Rot. Bonds12

About 9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole

9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole (PubChem CID 158119112) has the molecular formula C94H66N6 and a molecular weight of 1279.60 g/mol. Its IUPAC name is 9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
PubChem CID158119112
Molecular FormulaC94H66N6
Molecular Weight1279.60 g/mol
Exact Mass1278.53
IUPAC Name9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(C(n5c6ccccc6c6ccccc65)n5c6ccccc6c6ccccc65)cc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C53H36N4.C41H30N2/c1-3-16-36(17-4-1)40-20-15-21-41(34-40)47-35-46(54-52(55-47)38-18-5-2-6-19-38)37-30-32-39(33-31-37)53(56-48-26-11-7-22-42(48)43-23-8-12-27-49(43)56)57-50-28-13-9-24-44(50)45-25-10-14-29-51(45)57;1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28/h1-35,53H;3-27H,2H2,1H3
InChIKeyFRJRIAZTLWVSDG-UHFFFAOYSA-N
XLogP24.35
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001279.60
LogP ≤ 524.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 163491077
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 159819873
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 160637749
2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 170236015
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892
1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane
CID 158744095
2-ethyl-1-[4-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]phenyl]benzimidazole
CID 170236117
2-ethyl-1-[3-phenanthren-9-yl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzimidazole
CID 176622597
2-ethyl-1-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166043047
2-ethyl-1-[4-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]phenyl]benzimidazole
CID 166043163
2-ethyl-1-[4-[3-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166042959

Frequently Asked Questions

What is the IUPAC name of 9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The IUPAC name of 9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole (CID 158119112) is 9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole.
What is the SMILES notation for 9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The canonical SMILES for 9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole is CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(C(n5c6ccccc6c6ccccc65)n5c6ccccc6c6ccccc65)cc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The InChIKey is FRJRIAZTLWVSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N4.C41H30N2/c1-3-16-36(17-4-1)40-20-15-21-41(34-40)47-35-46(54-52(55-47)38-18-5-2-6-19-38)37-30-32-39(33-31-37)53(56-48-26-11-7-22-42(48)43-23-8-12-27-49(43)56)57-50-28-13-9-24-44(50)45-25-10-14-29-51(45)57;1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28/h1-35,53H;3-27H,2H2,1H3.
What are the key properties of 9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole has a molecular weight of 1279.60 g/mol, XLogP of 24.35, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole is sourced from PubChem (CID 158119112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).