4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(2-propylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(2-propylphenyl)phenyl]aniline

C62H62N2 — CID 59630253

About 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(2-propylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(2-propylphenyl)phenyl]aniline

4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(2-propylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(2-propylphenyl)phenyl]aniline (PubChem CID 59630253) has the molecular formula C62H62N2 and a molecular weight of 835.19 g/mol. Its IUPAC name is 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(2-propylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(2-propylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(2-propylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(2-propylphenyl)phenyl]aniline
• PubChem CID: 59630253
• Molecular Formula: C62H62N2
• Molecular Weight: 835.19 g/mol
• Exact Mass: 834.49
• IUPAC Name: 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(2-propylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(2-propylphenyl)phenyl]aniline
• SMILES: CCCc1ccccc1-c1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(-c6ccccc6CCC)cc5)cc4)CCCCC3)cc2)cc1
• InChI: InChI=1S/C62H62N2/c1-5-14-48-16-8-10-18-60(48)50-24-36-56(37-25-50)63(54-32-20-46(3)21-33-54)58-40-28-52(29-41-58)62(44-12-7-13-45-62)53-30-42-59(43-31-53)64(55-34-22-47(4)23-35-55)57-38-26-51(27-39-57)61-19-11-9-17-49(61)15-6-2/h8-11,16-43H,5-7,12-15,44-45H2,1-4H3
• InChIKey: OESCQYXJENOMKR-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.19
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(2-propylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(2-propylphenyl)phenyl]aniline?

The IUPAC name of 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) is 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(2-propylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(2-propylphenyl)phenyl]aniline.

What is the SMILES notation for 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(2-propylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(2-propylphenyl)phenyl]aniline?

The canonical SMILES for 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(2-propylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(2-propylphenyl)phenyl]aniline is CCCc1ccccc1-c1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(-c6ccccc6CCC)cc5)cc4)CCCCC3)cc2)cc1.

What is the InChIKey of 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(2-propylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(2-propylphenyl)phenyl]aniline?

The InChIKey is OESCQYXJENOMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H62N2/c1-5-14-48-16-8-10-18-60(48)50-24-36-56(37-25-50)63(54-32-20-46(3)21-33-54)58-40-28-52(29-41-58)62(44-12-7-13-45-62)53-30-42-59(43-31-53)64(55-34-22-47(4)23-35-55)57-38-26-51(27-39-57)61-19-11-9-17-49(61)15-6-2/h8-11,16-43H,5-7,12-15,44-45H2,1-4H3.

What are the key properties of 4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(2-propylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(2-propylphenyl)phenyl]aniline?

4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(2-propylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(2-propylphenyl)phenyl]aniline has a molecular weight of 835.19 g/mol, XLogP of 17.73, 14 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-propylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(2-propylphenyl)phenyl]aniline is sourced from PubChem (CID 59630253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).