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

C46H52N2 — CID 129067747

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

4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline (PubChem CID 129067747) has the molecular formula C46H52N2 and a molecular weight of 632.94 g/mol. Its IUPAC name is 4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline
• PubChem CID: 129067747
• Molecular Formula: C46H52N2
• Molecular Weight: 632.94 g/mol
• Exact Mass: 632.41
• IUPAC Name: 4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)C5CCC(C)CC5)cc4)CCCCC3)cc2)cc1
• InChI: InChI=1S/C46H52N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-13,16-25,28-31,37,43H,5-7,14-15,26-27,32-33H2,1-4H3
• InChIKey: RIAKRZKIEPBOSB-UHFFFAOYSA-N
• XLogP: 13.05
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.94
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline?

The IUPAC name of 4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline (CID 129067747) is 4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline.

What is the SMILES notation for 4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline?

The canonical SMILES for 4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)C5CCC(C)CC5)cc4)CCCCC3)cc2)cc1.

What is the InChIKey of 4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline?

The InChIKey is RIAKRZKIEPBOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H52N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-13,16-25,28-31,37,43H,5-7,14-15,26-27,32-33H2,1-4H3.

What are the key properties of 4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline?

4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline has a molecular weight of 632.94 g/mol, XLogP of 13.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline is sourced from PubChem (CID 129067747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).