4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline

C41H41N3 — CID 170247126

IUPAC4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-n3cc(-c4ccccc4)nc3-c3ccccc3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C41H41N3/c1-40(2,3)32-17-21-35(22-18-32)44(36-23-19-33(20-24-36)41(4,5)6)37-27-25-34(26-28-37)43-29-38(30-13-9-7-10-14-30)42-39(43)31-15-11-8-12-16-31/h7-29H,1-6H3
InChIKeyRPWUCNCCVLVWRY-UHFFFAOYSA-N
MW575.80 g/mol
LogP11.27
Rot. Bonds6

About 4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline

4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline (PubChem CID 170247126) has the molecular formula C41H41N3 and a molecular weight of 575.80 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline.

Molecular Properties

Compound Name4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline
PubChem CID170247126
Molecular FormulaC41H41N3
Molecular Weight575.80 g/mol
Exact Mass575.33
IUPAC Name4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-n3cc(-c4ccccc4)nc3-c3ccccc3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C41H41N3/c1-40(2,3)32-17-21-35(22-18-32)44(36-23-19-33(20-24-36)41(4,5)6)37-27-25-34(26-28-37)43-29-38(30-13-9-7-10-14-30)42-39(43)31-15-11-8-12-16-31/h7-29H,1-6H3
InChIKeyRPWUCNCCVLVWRY-UHFFFAOYSA-N
XLogP11.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.80
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2,4-diphenylimidazole
CID 10638706
1-(4-ethylphenyl)-2,4-diphenylimidazole
CID 173201564
2-(4-chlorophenyl)-1,4-diphenylimidazole
CID 44632179
4-tert-butyl-N,N-diphenylaniline
CID 11312667
4-[3-(4-tert-butylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]-N,N-diphenylaniline
CID 59499889
2-(2,4-diphenylimidazol-1-yl)-6-ethylpyridine
CID 58620996
1-N,3-N-bis(4-tert-butylphenyl)-1-N,3-N,5-tris(4-phenylphenyl)benzene-1,3-diamine
CID 90097412
N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline
CID 139326805
1-(4-tert-butylphenyl)-4-phenylimidazole
CID 174700905
4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[2-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]propan-2-yl]phenyl]aniline
CID 158713141
2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine
CID 59653212
4-phenyl-N-(4-phenylphenyl)-N-[4-[tris[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methyl]phenyl]aniline
CID 90076806

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline?
The IUPAC name of 4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline (CID 170247126) is 4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline.
What is the SMILES notation for 4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline?
The canonical SMILES for 4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline is CC(C)(C)c1ccc(N(c2ccc(-n3cc(-c4ccccc4)nc3-c3ccccc3)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline?
The InChIKey is RPWUCNCCVLVWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41N3/c1-40(2,3)32-17-21-35(22-18-32)44(36-23-19-33(20-24-36)41(4,5)6)37-27-25-34(26-28-37)43-29-38(30-13-9-7-10-14-30)42-39(43)31-15-11-8-12-16-31/h7-29H,1-6H3.
What are the key properties of 4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline?
4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline has a molecular weight of 575.80 g/mol, XLogP of 11.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline is sourced from PubChem (CID 170247126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).