2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole

C65H46N2 — CID 155788451

IUPAC2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1c2ccccc2c(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cc3)cc2)c2ccccc12
InChIInChI=1S/C65H46N2/c1-2-60-66-58-33-19-20-34-59(58)67(60)65-54-31-17-15-29-52(54)61(53-30-16-18-32-55(53)65)51-41-37-45(38-42-51)44-35-39-47(40-36-44)57-43-56(46-21-7-3-8-22-46)62(48-23-9-4-10-24-48)64(50-27-13-6-14-28-50)63(57)49-25-11-5-12-26-49/h3-43H,2H2,1H3
InChIKeyASRUHHUZUXTLGZ-UHFFFAOYSA-N
MW855.10 g/mol
LogP17.56
Rot. Bonds9

About 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole

2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole (PubChem CID 155788451) has the molecular formula C65H46N2 and a molecular weight of 855.10 g/mol. Its IUPAC name is 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole
PubChem CID155788451
Molecular FormulaC65H46N2
Molecular Weight855.10 g/mol
Exact Mass854.37
IUPAC Name2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1c2ccccc2c(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cc3)cc2)c2ccccc12
InChIInChI=1S/C65H46N2/c1-2-60-66-58-33-19-20-34-59(58)67(60)65-54-31-17-15-29-52(54)61(53-30-16-18-32-55(53)65)51-41-37-45(38-42-51)44-35-39-47(40-36-44)57-43-56(46-21-7-3-8-22-46)62(48-23-9-4-10-24-48)64(50-27-13-6-14-28-50)63(57)49-25-11-5-12-26-49/h3-43H,2H2,1H3
InChIKeyASRUHHUZUXTLGZ-UHFFFAOYSA-N
XLogP17.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.10
LogP ≤ 517.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]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

2-ethyl-1-(10-phenanthren-9-ylanthracen-9-yl)benzimidazole
CID 152897152
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
2-ethyl-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(3,5-diphenylphenyl)anthracen-9-yl]benzimidazole
CID 169071912
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892
2-ethyl-1-[4-[3-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166042959
1-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole
CID 170236505
1-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)-2-ethylbenzimidazole
CID 170236506
1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole
CID 139394595
2-ethyl-1-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166043047
1-[5-(2,10-diphenylanthracen-9-yl)-3-pyridinyl]-2-ethylbenzimidazole
CID 166043104
1-[6-(9,10-diphenylanthracen-2-yl)naphthalen-2-yl]-2-ethylbenzimidazole
CID 170235698
2-ethyl-1-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 153433793

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole?
The IUPAC name of 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole (CID 155788451) is 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole.
What is the SMILES notation for 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole?
The canonical SMILES for 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole is CCc1nc2ccccc2n1-c1c2ccccc2c(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cc3)cc2)c2ccccc12.
What is the InChIKey of 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole?
The InChIKey is ASRUHHUZUXTLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N2/c1-2-60-66-58-33-19-20-34-59(58)67(60)65-54-31-17-15-29-52(54)61(53-30-16-18-32-55(53)65)51-41-37-45(38-42-51)44-35-39-47(40-36-44)57-43-56(46-21-7-3-8-22-46)62(48-23-9-4-10-24-48)64(50-27-13-6-14-28-50)63(57)49-25-11-5-12-26-49/h3-43H,2H2,1H3.
What are the key properties of 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole?
2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole has a molecular weight of 855.10 g/mol, XLogP of 17.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[10-[4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole is sourced from PubChem (CID 155788451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).