N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline

C68H74N4 — CID 176835564

IUPACN-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline
SMILESCN(c1cccc(-c2cccn2-c2c(C3CCCCC3)cc(-c3ccccc3)cc2C2CCCCC2)c1)c1cccc(-c2nccn2-c2c(C3CCCCC3)cc(-c3ccccc3)cc2C2CCCCC2)c1
InChIInChI=1S/C68H74N4/c1-70(59-37-20-35-55(43-59)65-39-22-41-71(65)66-61(51-27-12-4-13-28-51)45-57(49-23-8-2-9-24-49)46-62(66)52-29-14-5-15-30-52)60-38-21-36-56(44-60)68-69-40-42-72(68)67-63(53-31-16-6-17-32-53)47-58(50-25-10-3-11-26-50)48-64(67)54-33-18-7-19-34-54/h2-3,8-11,20-26,35-48,51-54H,4-7,12-19,27-34H2,1H3
InChIKeyVYZNZRCAFLJSAH-UHFFFAOYSA-N
MW947.37 g/mol
LogP19.29
Rot. Bonds12

About N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline

N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline (PubChem CID 176835564) has the molecular formula C68H74N4 and a molecular weight of 947.37 g/mol. Its IUPAC name is N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline.

Molecular Properties

Compound NameN-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline
PubChem CID176835564
Molecular FormulaC68H74N4
Molecular Weight947.37 g/mol
Exact Mass946.59
IUPAC NameN-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline
SMILESCN(c1cccc(-c2cccn2-c2c(C3CCCCC3)cc(-c3ccccc3)cc2C2CCCCC2)c1)c1cccc(-c2nccn2-c2c(C3CCCCC3)cc(-c3ccccc3)cc2C2CCCCC2)c1
InChIInChI=1S/C68H74N4/c1-70(59-37-20-35-55(43-59)65-39-22-41-71(65)66-61(51-27-12-4-13-28-51)45-57(49-23-8-2-9-24-49)46-62(66)52-29-14-5-15-30-52)60-38-21-36-56(44-60)68-69-40-42-72(68)67-63(53-31-16-6-17-32-53)47-58(50-25-10-3-11-26-50)48-64(67)54-33-18-7-19-34-54/h2-3,8-11,20-26,35-48,51-54H,4-7,12-19,27-34H2,1H3
InChIKeyVYZNZRCAFLJSAH-UHFFFAOYSA-N
XLogP19.29
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.37
LogP ≤ 519.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline 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

3-[1-(2-cyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2-cyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-N-phenylaniline
CID 157247877
1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole
CID 140723590
N-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-N-methylaniline
CID 140593461
1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium
CID 58175683
1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[4-(3,5-diphenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
CID 162032684
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium)
CID 158336027
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole
CID 140803144
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
CID 157303526
N-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-3-isoquinolin-1-yl-N-phenylaniline
CID 70654675
1-[2-tert-butyl-6-(4,4-dimethylcyclohexyl)phenyl]-2-phenylimidazole
CID 140866266
1-phenyl-2-(3-phenylphenyl)imidazole
CID 157490154
1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium
CID 58175627

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline?
The IUPAC name of N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline (CID 176835564) is N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline.
What is the SMILES notation for N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline?
The canonical SMILES for N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline is CN(c1cccc(-c2cccn2-c2c(C3CCCCC3)cc(-c3ccccc3)cc2C2CCCCC2)c1)c1cccc(-c2nccn2-c2c(C3CCCCC3)cc(-c3ccccc3)cc2C2CCCCC2)c1.
What is the InChIKey of N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline?
The InChIKey is VYZNZRCAFLJSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H74N4/c1-70(59-37-20-35-55(43-59)65-39-22-41-71(65)66-61(51-27-12-4-13-28-51)45-57(49-23-8-2-9-24-49)46-62(66)52-29-14-5-15-30-52)60-38-21-36-56(44-60)68-69-40-42-72(68)67-63(53-31-16-6-17-32-53)47-58(50-25-10-3-11-26-50)48-64(67)54-33-18-7-19-34-54/h2-3,8-11,20-26,35-48,51-54H,4-7,12-19,27-34H2,1H3.
What are the key properties of N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline?
N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline has a molecular weight of 947.37 g/mol, XLogP of 19.29, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-3-[1-(2,6-dicyclohexyl-4-phenylphenyl)pyrrol-2-yl]-N-methylaniline is sourced from PubChem (CID 176835564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).