4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline

C58H54N2 — CID 58312147

IUPAC4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline
SMILESCc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C4(c5ccc(N(c6ccc(C)cc6)c6ccc(-c7ccc(C)cc7)cc6)cc5)CCCCC4)cc3)cc2)cc1
InChIInChI=1S/C58H54N2/c1-42-8-16-46(17-9-42)48-20-32-54(33-21-48)59(52-28-12-44(3)13-29-52)56-36-24-50(25-37-56)58(40-6-5-7-41-58)51-26-38-57(39-27-51)60(53-30-14-45(4)15-31-53)55-34-22-49(23-35-55)47-18-10-43(2)11-19-47/h8-39H,5-7,40-41H2,1-4H3
InChIKeyGJCANABEUZBQLO-UHFFFAOYSA-N
MW779.08 g/mol
LogP16.44
Rot. Bonds10

About 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline

4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline (PubChem CID 58312147) has the molecular formula C58H54N2 and a molecular weight of 779.08 g/mol. Its IUPAC name is 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline
PubChem CID58312147
Molecular FormulaC58H54N2
Molecular Weight779.08 g/mol
Exact Mass778.43
IUPAC Name4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline
SMILESCc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C4(c5ccc(N(c6ccc(C)cc6)c6ccc(-c7ccc(C)cc7)cc6)cc5)CCCCC4)cc3)cc2)cc1
InChIInChI=1S/C58H54N2/c1-42-8-16-46(17-9-42)48-20-32-54(33-21-48)59(52-28-12-44(3)13-29-52)56-36-24-50(25-37-56)58(40-6-5-7-41-58)51-26-38-57(39-27-51)60(53-30-14-45(4)15-31-53)55-34-22-49(23-35-55)47-18-10-43(2)11-19-47/h8-39H,5-7,40-41H2,1-4H3
InChIKeyGJCANABEUZBQLO-UHFFFAOYSA-N
XLogP16.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.08
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N,N-bis(4-methylphenyl)aniline;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 87837292
ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 156728878
4-methyl-N-[4-[1-[4-(4-methyl-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 68590819
N-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline
CID 146427796
4-[2-(3,5-dimethylphenyl)-4-methylphenyl]-N-[4-[1-[4-[4-[2-(3,5-dimethylphenyl)-4-methylphenyl]-N-[4-[2-(3,5-dimethylphenyl)-5-methylphenyl]phenyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[2-(3,5-dimethylphenyl)-5-methylphenyl]phenyl]aniline
CID 161215317
[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl] propanoate
CID 58814424
2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline
CID 166506077
ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene
CID 123671518
3-N-[4-[1-[4-(N-[3-(diethylamino)phenyl]-4-methylanilino)phenyl]cyclohexyl]phenyl]-1-N,1-N-diethyl-3-N-(4-methylphenyl)benzene-1,3-diamine
CID 20761197
4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline
CID 129067747
4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(2-propylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(2-propylphenyl)phenyl]aniline
CID 59630253
4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline
CID 58876490

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline?
The IUPAC name of 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline (CID 58312147) is 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline.
What is the SMILES notation for 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline?
The canonical SMILES for 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline is Cc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C4(c5ccc(N(c6ccc(C)cc6)c6ccc(-c7ccc(C)cc7)cc6)cc5)CCCCC4)cc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline?
The InChIKey is GJCANABEUZBQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H54N2/c1-42-8-16-46(17-9-42)48-20-32-54(33-21-48)59(52-28-12-44(3)13-29-52)56-36-24-50(25-37-56)58(40-6-5-7-41-58)51-26-38-57(39-27-51)60(53-30-14-45(4)15-31-53)55-34-22-49(23-35-55)47-18-10-43(2)11-19-47/h8-39H,5-7,40-41H2,1-4H3.
What are the key properties of 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline?
4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline has a molecular weight of 779.08 g/mol, XLogP of 16.44, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline is sourced from PubChem (CID 58312147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).