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

C52H60N4 — CID 20761197

IUPAC3-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
SMILESCCN(CC)c1cccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5cccc(N(CC)CC)c5)cc4)CCCCC3)cc2)c1
InChIInChI=1S/C52H60N4/c1-7-53(8-2)48-16-14-18-50(38-48)55(44-28-20-40(5)21-29-44)46-32-24-42(25-33-46)52(36-12-11-13-37-52)43-26-34-47(35-27-43)56(45-30-22-41(6)23-31-45)51-19-15-17-49(39-51)54(9-3)10-4/h14-35,38-39H,7-13,36-37H2,1-6H3
InChIKeyZQPQSLLGIPBSPH-UHFFFAOYSA-N
MW741.08 g/mol
LogP14.19
Rot. Bonds14

About 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

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 (PubChem CID 20761197) has the molecular formula C52H60N4 and a molecular weight of 741.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID20761197
Molecular FormulaC52H60N4
Molecular Weight741.08 g/mol
Exact Mass740.48
IUPAC Name3-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
SMILESCCN(CC)c1cccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5cccc(N(CC)CC)c5)cc4)CCCCC3)cc2)c1
InChIInChI=1S/C52H60N4/c1-7-53(8-2)48-16-14-18-50(38-48)55(44-28-20-40(5)21-29-44)46-32-24-42(25-33-46)52(36-12-11-13-37-52)43-26-34-47(35-27-43)56(45-30-22-41(6)23-31-45)51-19-15-17-49(39-51)54(9-3)10-4/h14-35,38-39H,7-13,36-37H2,1-6H3
InChIKeyZQPQSLLGIPBSPH-UHFFFAOYSA-N
XLogP14.19
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.08
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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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
1-N,1-N-diethyl-3-N-(4-methylphenyl)-3-N-[4-(4-methylphenyl)phenyl]benzene-1,3-diamine
CID 20761234
N-[4-(4-methylphenyl)phenyl]-3-[1-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]-N-phenylaniline
CID 146427796
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-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline
CID 59575404
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-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)benzene-1,3-diamine;2-N,2-N',7-N,7-N'-tetranaphthalen-1-yl-2-N,2-N',7-N,7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 158613408
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-[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
3-N-[4-[4-(N-[3-(diethylamino)phenyl]-4-methylanilino)-3-methylphenyl]-2-methylphenyl]-1-N,1-N-diethyl-3-N-(4-methylphenyl)benzene-1,3-diamine
CID 20761203

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)c1cccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5cccc(N(CC)CC)c5)cc4)CCCCC3)cc2)c1.
What is the InChIKey of 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?
The InChIKey is ZQPQSLLGIPBSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H60N4/c1-7-53(8-2)48-16-14-18-50(38-48)55(44-28-20-40(5)21-29-44)46-32-24-42(25-33-46)52(36-12-11-13-37-52)43-26-34-47(35-27-43)56(45-30-22-41(6)23-31-45)51-19-15-17-49(39-51)54(9-3)10-4/h14-35,38-39H,7-13,36-37H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 741.08 g/mol, XLogP of 14.19, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 20761197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).