N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline

C36H35N — CID 134423688

IUPACN-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
SMILESCCCCc1ccc(N(c2ccc(-c3ccc(-c4ccc(C)cc4)cc3)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C36H35N/c1-4-5-8-29-12-22-34(23-13-29)37(36-9-6-7-28(3)26-36)35-24-20-33(21-25-35)32-18-16-31(17-19-32)30-14-10-27(2)11-15-30/h6-7,9-26H,4-5,8H2,1-3H3
InChIKeyVHFSSWVOZVUEMD-UHFFFAOYSA-N
MW481.68 g/mol
LogP10.45
Rot. Bonds8

About N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline

N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline (PubChem CID 134423688) has the molecular formula C36H35N and a molecular weight of 481.68 g/mol. Its IUPAC name is N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
PubChem CID134423688
Molecular FormulaC36H35N
Molecular Weight481.68 g/mol
Exact Mass481.28
IUPAC NameN-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
SMILESCCCCc1ccc(N(c2ccc(-c3ccc(-c4ccc(C)cc4)cc3)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C36H35N/c1-4-5-8-29-12-22-34(23-13-29)37(36-9-6-7-28(3)26-36)35-24-20-33(21-25-35)32-18-16-31(17-19-32)30-14-10-27(2)11-15-30/h6-7,9-26H,4-5,8H2,1-3H3
InChIKeyVHFSSWVOZVUEMD-UHFFFAOYSA-N
XLogP10.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[3-[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]-5-[4-(N-(3-butylphenyl)-3-methylanilino)phenyl]phenyl]phenyl]-N-(3-butylphenyl)-3-methylaniline
CID 20688277
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;3-butyl-N-[4-[4-(N-(3-butylphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 123445678
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline
CID 18346375
N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline
CID 58210318
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline?
The IUPAC name of N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline (CID 134423688) is N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline is CCCCc1ccc(N(c2ccc(-c3ccc(-c4ccc(C)cc4)cc3)cc2)c2cccc(C)c2)cc1.
What is the InChIKey of N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline?
The InChIKey is VHFSSWVOZVUEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N/c1-4-5-8-29-12-22-34(23-13-29)37(36-9-6-7-28(3)26-36)35-24-20-33(21-25-35)32-18-16-31(17-19-32)30-14-10-27(2)11-15-30/h6-7,9-26H,4-5,8H2,1-3H3.
What are the key properties of N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline?
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline has a molecular weight of 481.68 g/mol, XLogP of 10.45, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 134423688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).