aniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline

C63H57ClN8 — CID 160839362

IUPACaniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline
SMILESCc1cccc(C)c1-n1cnc(-c2cccc(Cl)c2)c1.Cc1cccc(C)c1-n1cnc(-c2cccc(N(c3ccccc3)c3cccc(-c4cn(-c5c(C)cccc5C)cn4)c3)c2)c1.Nc1ccccc1
InChIInChI=1S/C40H35N5.C17H15ClN2.C6H7N/c1-28-12-8-13-29(2)39(28)43-24-37(41-26-43)32-16-10-20-35(22-32)45(34-18-6-5-7-19-34)36-21-11-17-33(23-36)38-25-44(27-42-38)40-30(3)14-9-15-31(40)4;1-12-5-3-6-13(2)17(12)20-10-16(19-11-20)14-7-4-8-15(18)9-14;7-6-4-2-1-3-5-6/h5-27H,1-4H3;3-11H,1-2H3;1-5H,7H2
InChIKeySHVCGMWCRCBGPL-UHFFFAOYSA-N
MW961.66 g/mol
LogP16.17
Rot. Bonds9

About aniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline

aniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline (PubChem CID 160839362) has the molecular formula C63H57ClN8 and a molecular weight of 961.66 g/mol. Its IUPAC name is aniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Nameaniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline
PubChem CID160839362
Molecular FormulaC63H57ClN8
Molecular Weight961.66 g/mol
Exact Mass960.44
IUPAC Nameaniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline
SMILESCc1cccc(C)c1-n1cnc(-c2cccc(Cl)c2)c1.Cc1cccc(C)c1-n1cnc(-c2cccc(N(c3ccccc3)c3cccc(-c4cn(-c5c(C)cccc5C)cn4)c3)c2)c1.Nc1ccccc1
InChIInChI=1S/C40H35N5.C17H15ClN2.C6H7N/c1-28-12-8-13-29(2)39(28)43-24-37(41-26-43)32-16-10-20-35(22-32)45(34-18-6-5-7-19-34)36-21-11-17-33(23-36)38-25-44(27-42-38)40-30(3)14-9-15-31(40)4;1-12-5-3-6-13(2)17(12)20-10-16(19-11-20)14-7-4-8-15(18)9-14;7-6-4-2-1-3-5-6/h5-27H,1-4H3;3-11H,1-2H3;1-5H,7H2
InChIKeySHVCGMWCRCBGPL-UHFFFAOYSA-N
XLogP16.17
TPSA82.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.66
LogP ≤ 516.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze aniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline with MolForge

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Related Compounds

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3-(4-aminophenyl)-N,N-diphenylaniline
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CID 123790773
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
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CID 158539257
3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
CID 118448588
(1R)-1-[4-(3-chlorophenyl)imidazol-1-yl]ethanol
CID 174510174

Frequently Asked Questions

What is the IUPAC name of aniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline?
The IUPAC name of aniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline (CID 160839362) is aniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline.
What is the SMILES notation for aniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline?
The canonical SMILES for aniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline is Cc1cccc(C)c1-n1cnc(-c2cccc(Cl)c2)c1.Cc1cccc(C)c1-n1cnc(-c2cccc(N(c3ccccc3)c3cccc(-c4cn(-c5c(C)cccc5C)cn4)c3)c2)c1.Nc1ccccc1.
What is the InChIKey of aniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline?
The InChIKey is SHVCGMWCRCBGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35N5.C17H15ClN2.C6H7N/c1-28-12-8-13-29(2)39(28)43-24-37(41-26-43)32-16-10-20-35(22-32)45(34-18-6-5-7-19-34)36-21-11-17-33(23-36)38-25-44(27-42-38)40-30(3)14-9-15-31(40)4;1-12-5-3-6-13(2)17(12)20-10-16(19-11-20)14-7-4-8-15(18)9-14;7-6-4-2-1-3-5-6/h5-27H,1-4H3;3-11H,1-2H3;1-5H,7H2.
What are the key properties of aniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline?
aniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline has a molecular weight of 961.66 g/mol, XLogP of 16.17, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline is sourced from PubChem (CID 160839362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).