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

C62H58N2 — CID 68590819

IUPAC4-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
SMILESCc1ccc(C=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C4(c5ccc(N(c6ccc(C)cc6)c6ccc(C=Cc7ccc(C)cc7)cc6)cc5)CCCCC4)cc3)cc2)cc1
InChIInChI=1S/C62H58N2/c1-46-8-16-50(17-9-46)20-22-52-24-36-58(37-25-52)63(56-32-12-48(3)13-33-56)60-40-28-54(29-41-60)62(44-6-5-7-45-62)55-30-42-61(43-31-55)64(57-34-14-49(4)15-35-57)59-38-26-53(27-39-59)23-21-51-18-10-47(2)11-19-51/h8-43H,5-7,44-45H2,1-4H3
InChIKeyWIQPYOPRROSCGO-UHFFFAOYSA-N
MW831.16 g/mol
LogP17.45
Rot. Bonds12

About 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

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 (PubChem CID 68590819) has the molecular formula C62H58N2 and a molecular weight of 831.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID68590819
Molecular FormulaC62H58N2
Molecular Weight831.16 g/mol
Exact Mass830.46
IUPAC Name4-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
SMILESCc1ccc(C=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C4(c5ccc(N(c6ccc(C)cc6)c6ccc(C=Cc7ccc(C)cc7)cc6)cc5)CCCCC4)cc3)cc2)cc1
InChIInChI=1S/C62H58N2/c1-46-8-16-50(17-9-46)20-22-52-24-36-58(37-25-52)63(56-32-12-48(3)13-33-56)60-40-28-54(29-41-60)62(44-6-5-7-45-62)55-30-42-61(43-31-55)64(57-34-14-49(4)15-35-57)59-38-26-53(27-39-59)23-21-51-18-10-47(2)11-19-51/h8-43H,5-7,44-45H2,1-4H3
InChIKeyWIQPYOPRROSCGO-UHFFFAOYSA-N
XLogP17.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.16
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline
CID 58312147
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
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
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene
CID 123671518
4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline
CID 129067747
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-[1-[4-[3-[2-[4-(N-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate
CID 59061621
[4-[1-[4-[3-[(E)-2-[4-(N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate
CID 20582060
ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-[(3E)-6-methylhepta-3,5-dien-3-yl]anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 144730990

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(C=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C4(c5ccc(N(c6ccc(C)cc6)c6ccc(C=Cc7ccc(C)cc7)cc6)cc5)CCCCC4)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is WIQPYOPRROSCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H58N2/c1-46-8-16-50(17-9-46)20-22-52-24-36-58(37-25-52)63(56-32-12-48(3)13-33-56)60-40-28-54(29-41-60)62(44-6-5-7-45-62)55-30-42-61(43-31-55)64(57-34-14-49(4)15-35-57)59-38-26-53(27-39-59)23-21-51-18-10-47(2)11-19-51/h8-43H,5-7,44-45H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 831.16 g/mol, XLogP of 17.45, 12 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-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline is sourced from PubChem (CID 68590819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).