N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline

C33H37N — CID 134425789

IUPACN-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
SMILESCc1ccc(N(c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C33H37N/c1-24-8-18-29(19-9-24)34(31-22-16-28(17-23-31)33(5,6)7)30-20-12-26(13-21-30)25-10-14-27(15-11-25)32(2,3)4/h8-23H,1-7H3
InChIKeyLQAZKBQLLUWRGV-UHFFFAOYSA-N
MW447.67 g/mol
LogP9.73
Rot. Bonds4

About N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline

N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline (PubChem CID 134425789) has the molecular formula C33H37N and a molecular weight of 447.67 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
PubChem CID134425789
Molecular FormulaC33H37N
Molecular Weight447.67 g/mol
Exact Mass447.29
IUPAC NameN-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
SMILESCc1ccc(N(c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C33H37N/c1-24-8-18-29(19-9-24)34(31-22-16-28(17-23-31)33(5,6)7)30-20-12-26(13-21-30)25-10-14-27(15-11-25)32(2,3)4/h8-23H,1-7H3
InChIKeyLQAZKBQLLUWRGV-UHFFFAOYSA-N
XLogP9.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.67
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
1-N,3-N,5-N-tris(4-tert-butylphenyl)-1-N,3-N,5-N-tris(4-methylphenyl)benzene-1,3,5-triamine
CID 22900171
4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134426365
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline
CID 142034446
N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene
CID 165070173
N-(4-tert-butylphenyl)-4-methyl-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89067836
N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline
CID 59863422
4-N-(4-tert-butyl-2-methylphenyl)-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 143059806
17-(4-tert-butylphenyl)-N,N-bis(4-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032564
1-tert-butyl-4-methylbenzene
CID 163486601
10-N-(4-tert-butylphenyl)-9-N,9-N,10-N-tris(4-methylphenyl)anthracene-9,10-diamine
CID 126627134

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline?
The IUPAC name of N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline (CID 134425789) is N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline is Cc1ccc(N(c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline?
The InChIKey is LQAZKBQLLUWRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N/c1-24-8-18-29(19-9-24)34(31-22-16-28(17-23-31)33(5,6)7)30-20-12-26(13-21-30)25-10-14-27(15-11-25)32(2,3)4/h8-23H,1-7H3.
What are the key properties of N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline?
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline has a molecular weight of 447.67 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline is sourced from PubChem (CID 134425789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).