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

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Related Compounds

2-[4-[4-(N-(4-butan-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-5-methylbenzenesulfonic acid
CID 88869441
N-[4-[4-[N-(4-butan-2-ylphenyl)-4-[3-[4-[N-(4-butan-2-ylphenyl)-4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59566466
N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-methyl-1-(4-methyl-2-octylphenyl)-2-octylbenzene
CID 91206496
1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 157085046
N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane
CID 159095466
4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene
CID 161054987
N-(4-butan-2-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-3-tritioaniline
CID 59196951
N-[4-[5-[4-(N-(4-butan-2-ylphenyl)-4-methylanilino)phenyl]-2-methylphenyl]phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 164803659
N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane
CID 143909835
1-butan-2-yl-4-methylbenzene;molecular hydrogen;propane
CID 144517328
N,N-bis[4-[2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]phenyl]-4-methylaniline
CID 58177568
N-[4-[4-(4-butan-2-yl-N-(3,4-dimethylphenyl)anilino)-3-ethylphenyl]-2-ethylphenyl]-N-(4-butan-2-ylphenyl)-3,4-dimethylaniline
CID 22900173

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).