N-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline

C64H65N3 — CID 163551615

IUPACN-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)C4CCC(c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)C(C5CCCC5)C4)cc3)cc2)cc1
InChIInChI=1S/C64H65N3/c1-45-10-26-54(27-11-45)65(55-28-12-46(2)13-29-55)59-36-20-50(21-37-59)51-22-38-61(39-23-51)67(58-34-18-49(5)19-35-58)62-42-43-63(64(44-62)52-8-6-7-9-52)53-24-40-60(41-25-53)66(56-30-14-47(3)15-31-56)57-32-16-48(4)17-33-57/h10-41,52,62-64H,6-9,42-44H2,1-5H3
InChIKeyFJNNFUPSGZUUMW-UHFFFAOYSA-N
MW876.24 g/mol
LogP18.12
Rot. Bonds12

About N-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline

N-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline (PubChem CID 163551615) has the molecular formula C64H65N3 and a molecular weight of 876.24 g/mol. Its IUPAC name is N-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
PubChem CID163551615
Molecular FormulaC64H65N3
Molecular Weight876.24 g/mol
Exact Mass875.52
IUPAC NameN-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)C4CCC(c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)C(C5CCCC5)C4)cc3)cc2)cc1
InChIInChI=1S/C64H65N3/c1-45-10-26-54(27-11-45)65(55-28-12-46(2)13-29-55)59-36-20-50(21-37-59)51-22-38-61(39-23-51)67(58-34-18-49(5)19-35-58)62-42-43-63(64(44-62)52-8-6-7-9-52)53-24-40-60(41-25-53)66(56-30-14-47(3)15-31-56)57-32-16-48(4)17-33-57/h10-41,52,62-64H,6-9,42-44H2,1-5H3
InChIKeyFJNNFUPSGZUUMW-UHFFFAOYSA-N
XLogP18.12
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.24
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline with MolForge

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Related Compounds

N-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 67519350
N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-methylanilino)phenyl]cyclohexyl]-4-methylaniline
CID 142951894
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691
N-[4-[4-[12-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]anilino)phenyl]phenyl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysen-6-yl]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 89363769
N-cyclohexyl-4-methyl-N-phenylaniline
CID 58662978
N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 18730192
4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline
CID 129067747
N-(4-methanimidoylphenyl)-4-methyl-N-[4-(2-methylcyclopropyl)phenyl]aniline
CID 163583859
1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 88567821
N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline
CID 58383017
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline?
The IUPAC name of N-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline (CID 163551615) is N-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline.
What is the SMILES notation for N-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline?
The canonical SMILES for N-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)C4CCC(c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)C(C5CCCC5)C4)cc3)cc2)cc1.
What is the InChIKey of N-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline?
The InChIKey is FJNNFUPSGZUUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H65N3/c1-45-10-26-54(27-11-45)65(55-28-12-46(2)13-29-55)59-36-20-50(21-37-59)51-22-38-61(39-23-51)67(58-34-18-49(5)19-35-58)62-42-43-63(64(44-62)52-8-6-7-9-52)53-24-40-60(41-25-53)66(56-30-14-47(3)15-31-56)57-32-16-48(4)17-33-57/h10-41,52,62-64H,6-9,42-44H2,1-5H3.
What are the key properties of N-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline?
N-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline has a molecular weight of 876.24 g/mol, XLogP of 18.12, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 163551615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).