N-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline

C38H39N — CID 58720503

IUPACN-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline
SMILESCCC(C)c1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(C)cc4C)c(C)c3)cc2)cc1
InChIInChI=1S/C38H39N/c1-7-28(4)31-11-18-35(19-12-31)39(34-16-8-26(2)9-17-34)36-20-13-32(14-21-36)33-15-23-38(30(6)25-33)37-22-10-27(3)24-29(37)5/h8-25,28H,7H2,1-6H3
InChIKeyNQVLKRWQTOTORF-UHFFFAOYSA-N
MW509.74 g/mol
LogP11.24
Rot. Bonds7

About N-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline

N-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline (PubChem CID 58720503) has the molecular formula C38H39N and a molecular weight of 509.74 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline
PubChem CID58720503
Molecular FormulaC38H39N
Molecular Weight509.74 g/mol
Exact Mass509.31
IUPAC NameN-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline
SMILESCCC(C)c1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(C)cc4C)c(C)c3)cc2)cc1
InChIInChI=1S/C38H39N/c1-7-28(4)31-11-18-35(19-12-31)39(34-16-8-26(2)9-17-34)36-20-13-32(14-21-36)33-15-23-38(30(6)25-33)37-22-10-27(3)24-29(37)5/h8-25,28H,7H2,1-6H3
InChIKeyNQVLKRWQTOTORF-UHFFFAOYSA-N
XLogP11.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.74
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline 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 N-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline?
The IUPAC name of N-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline (CID 58720503) is N-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline?
The canonical SMILES for N-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline is CCC(C)c1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(C)cc4C)c(C)c3)cc2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline?
The InChIKey is NQVLKRWQTOTORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39N/c1-7-28(4)31-11-18-35(19-12-31)39(34-16-8-26(2)9-17-34)36-20-13-32(14-21-36)33-15-23-38(30(6)25-33)37-22-10-27(3)24-29(37)5/h8-25,28H,7H2,1-6H3.
What are the key properties of N-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline?
N-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline has a molecular weight of 509.74 g/mol, XLogP of 11.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline is sourced from PubChem (CID 58720503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).