N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline

C33H37N — CID 139326805

IUPACN,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline
SMILESCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1-c1ccccc1
InChIInChI=1S/C33H37N/c1-24-13-18-30(23-31(24)25-11-9-8-10-12-25)34(28-19-14-26(15-20-28)32(2,3)4)29-21-16-27(17-22-29)33(5,6)7/h8-23H,1-7H3
InChIKeyFBYXGVQRUKLSTE-UHFFFAOYSA-N
MW447.67 g/mol
LogP9.73
Rot. Bonds4

About N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline

N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline (PubChem CID 139326805) has the molecular formula C33H37N and a molecular weight of 447.67 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline
PubChem CID139326805
Molecular FormulaC33H37N
Molecular Weight447.67 g/mol
Exact Mass447.29
IUPAC NameN,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline
SMILESCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1-c1ccccc1
InChIInChI=1S/C33H37N/c1-24-13-18-30(23-31(24)25-11-9-8-10-12-25)34(28-19-14-26(15-20-28)32(2,3)4)29-21-16-27(17-22-29)33(5,6)7/h8-23H,1-7H3
InChIKeyFBYXGVQRUKLSTE-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

2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine
CID 121383915
N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline
CID 22630576
4-tert-butyl-N,N-diphenylaniline
CID 11312667
1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene
CID 59814152
1-N,3-N-bis(4-tert-butylphenyl)-1-N,3-N,5-tris(4-phenylphenyl)benzene-1,3-diamine
CID 90097412
N-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(2,3-diphenylphenyl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-phenylaniline;N-[4-[2-(2-methylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 158908130
5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-bis(4-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010517
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59470459
N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine
CID 137232562
3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline
CID 176854873
5-tert-butyl-1-N,3-N-bis[4-(3,5-diphenylphenyl)-3,5-diphenylphenyl]-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 171445880
N,N-bis(4-tert-butylphenyl)-3-methylaniline
CID 139326638

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline (CID 139326805) is N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline is Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1-c1ccccc1.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline?
The InChIKey is FBYXGVQRUKLSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N/c1-24-13-18-30(23-31(24)25-11-9-8-10-12-25)34(28-19-14-26(15-20-28)32(2,3)4)29-21-16-27(17-22-29)33(5,6)7/h8-23H,1-7H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline?
N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline 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,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline is sourced from PubChem (CID 139326805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).