4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline

C46H46N2 — CID 58876490

IUPAC4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline
SMILESCc1ccc(Nc2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCCCC3)cc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C46H46N2/c1-33-8-16-37(17-9-33)44-32-39(20-29-45(44)47-40-21-10-34(2)11-22-40)46(30-6-5-7-31-46)38-18-27-43(28-19-38)48(41-23-12-35(3)13-24-41)42-25-14-36(4)15-26-42/h8-29,32,47H,5-7,30-31H2,1-4H3
InChIKeyLDECCAUTBDEMEB-UHFFFAOYSA-N
MW626.89 g/mol
LogP13.05
Rot. Bonds8

About 4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline

4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline (PubChem CID 58876490) has the molecular formula C46H46N2 and a molecular weight of 626.89 g/mol. Its IUPAC name is 4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline
PubChem CID58876490
Molecular FormulaC46H46N2
Molecular Weight626.89 g/mol
Exact Mass626.37
IUPAC Name4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline
SMILESCc1ccc(Nc2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCCCC3)cc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C46H46N2/c1-33-8-16-37(17-9-33)44-32-39(20-29-45(44)47-40-21-10-34(2)11-22-40)46(30-6-5-7-31-46)38-18-27-43(28-19-38)48(41-23-12-35(3)13-24-41)42-25-14-36(4)15-26-42/h8-29,32,47H,5-7,30-31H2,1-4H3
InChIKeyLDECCAUTBDEMEB-UHFFFAOYSA-N
XLogP13.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.89
LogP ≤ 513.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline?
The IUPAC name of 4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline (CID 58876490) is 4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline.
What is the SMILES notation for 4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline?
The canonical SMILES for 4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline is Cc1ccc(Nc2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCCCC3)cc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline?
The InChIKey is LDECCAUTBDEMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46N2/c1-33-8-16-37(17-9-33)44-32-39(20-29-45(44)47-40-21-10-34(2)11-22-40)46(30-6-5-7-31-46)38-18-27-43(28-19-38)48(41-23-12-35(3)13-24-41)42-25-14-36(4)15-26-42/h8-29,32,47H,5-7,30-31H2,1-4H3.
What are the key properties of 4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline?
4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline has a molecular weight of 626.89 g/mol, XLogP of 13.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-N,2-bis(4-methylphenyl)aniline is sourced from PubChem (CID 58876490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).