N-tert-butyl-4-[4-(tert-butylamino)phenyl]-2,3-diphenylaniline

C32H36N2 — CID 141056412

IUPACN-tert-butyl-4-[4-(tert-butylamino)phenyl]-2,3-diphenylaniline
SMILESCC(C)(C)Nc1ccc(-c2ccc(NC(C)(C)C)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C32H36N2/c1-31(2,3)33-26-19-17-23(18-20-26)27-21-22-28(34-32(4,5)6)30(25-15-11-8-12-16-25)29(27)24-13-9-7-10-14-24/h7-22,33-34H,1-6H3
InChIKeyUGPFZFPUVHCWBK-UHFFFAOYSA-N
MW448.65 g/mol
LogP9.11
Rot. Bonds5

About N-tert-butyl-4-[4-(tert-butylamino)phenyl]-2,3-diphenylaniline

N-tert-butyl-4-[4-(tert-butylamino)phenyl]-2,3-diphenylaniline (PubChem CID 141056412) has the molecular formula C32H36N2 and a molecular weight of 448.65 g/mol. Its IUPAC name is N-tert-butyl-4-[4-(tert-butylamino)phenyl]-2,3-diphenylaniline.

Molecular Properties

Compound NameN-tert-butyl-4-[4-(tert-butylamino)phenyl]-2,3-diphenylaniline
PubChem CID141056412
Molecular FormulaC32H36N2
Molecular Weight448.65 g/mol
Exact Mass448.29
IUPAC NameN-tert-butyl-4-[4-(tert-butylamino)phenyl]-2,3-diphenylaniline
SMILESCC(C)(C)Nc1ccc(-c2ccc(NC(C)(C)C)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C32H36N2/c1-31(2,3)33-26-19-17-23(18-20-26)27-21-22-28(34-32(4,5)6)30(25-15-11-8-12-16-25)29(27)24-13-9-7-10-14-24/h7-22,33-34H,1-6H3
InChIKeyUGPFZFPUVHCWBK-UHFFFAOYSA-N
XLogP9.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.65
LogP ≤ 59.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3,4-triphenylphenyl)hydrazine
CID 67058028
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
4-(4-anilinophenyl)-2,3-bis(4-methoxyphenyl)-N-phenylaniline
CID 67126877
4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine
CID 22245212
1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine
CID 146472249
3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol
CID 67762848
1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone
CID 102064211
6-tert-butyl-1-(2,3,4,5-tetraphenylphenyl)azulene
CID 12023823
1,2-bis(4-phenylphenyl)-1-(2,3,4-triphenylphenyl)hydrazine
CID 70172162
2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline
CID 155123182
N-tert-butyl-1-naphthalen-1-ylnaphthalen-2-amine
CID 146334999
ruthenium;(2,3,4-triphenylphenyl)phosphane
CID 161293596

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[4-(tert-butylamino)phenyl]-2,3-diphenylaniline?
The IUPAC name of N-tert-butyl-4-[4-(tert-butylamino)phenyl]-2,3-diphenylaniline (CID 141056412) is N-tert-butyl-4-[4-(tert-butylamino)phenyl]-2,3-diphenylaniline.
What is the SMILES notation for N-tert-butyl-4-[4-(tert-butylamino)phenyl]-2,3-diphenylaniline?
The canonical SMILES for N-tert-butyl-4-[4-(tert-butylamino)phenyl]-2,3-diphenylaniline is CC(C)(C)Nc1ccc(-c2ccc(NC(C)(C)C)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of N-tert-butyl-4-[4-(tert-butylamino)phenyl]-2,3-diphenylaniline?
The InChIKey is UGPFZFPUVHCWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2/c1-31(2,3)33-26-19-17-23(18-20-26)27-21-22-28(34-32(4,5)6)30(25-15-11-8-12-16-25)29(27)24-13-9-7-10-14-24/h7-22,33-34H,1-6H3.
What are the key properties of N-tert-butyl-4-[4-(tert-butylamino)phenyl]-2,3-diphenylaniline?
N-tert-butyl-4-[4-(tert-butylamino)phenyl]-2,3-diphenylaniline has a molecular weight of 448.65 g/mol, XLogP of 9.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[4-(tert-butylamino)phenyl]-2,3-diphenylaniline is sourced from PubChem (CID 141056412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).