1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide

C36H39N3O3 — CID 67992142

IUPAC1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)cc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1
InChIInChI=1S/C36H39N3O3/c1-22(2)25-7-13-31(14-8-25)37-34(40)28-19-29(35(41)38-32-15-9-26(10-16-32)23(3)4)21-30(20-28)36(42)39-33-17-11-27(12-18-33)24(5)6/h7-24H,1-6H3,(H,37,40)(H,38,41)(H,39,42)
InChIKeyOWXJOKROOVKWRG-UHFFFAOYSA-N
MW561.73 g/mol
LogP8.81
Rot. Bonds9

About 1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide

1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide (PubChem CID 67992142) has the molecular formula C36H39N3O3 and a molecular weight of 561.73 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
PubChem CID67992142
Molecular FormulaC36H39N3O3
Molecular Weight561.73 g/mol
Exact Mass561.30
IUPAC Name1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)cc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1
InChIInChI=1S/C36H39N3O3/c1-22(2)25-7-13-31(14-8-25)37-34(40)28-19-29(35(41)38-32-15-9-26(10-16-32)23(3)4)21-30(20-28)36(42)39-33-17-11-27(12-18-33)24(5)6/h7-24H,1-6H3,(H,37,40)(H,38,41)(H,39,42)
InChIKeyOWXJOKROOVKWRG-UHFFFAOYSA-N
XLogP8.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.73
LogP ≤ 58.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
3,5-difluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4785745
[3-acetyloxy-5-[(4-propan-2-ylphenyl)carbamoyl]phenyl] acetate
CID 2975179
3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107769
N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 110466850
3-iodo-N-(4-propan-2-ylphenyl)benzamide
CID 1154174
4-(ethylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 62171719
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 121261386
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143
4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049826
3-N-(3-cyanophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109057385

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide (CID 67992142) is 1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide is CC(C)c1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)cc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1.
What is the InChIKey of 1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide?
The InChIKey is OWXJOKROOVKWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N3O3/c1-22(2)25-7-13-31(14-8-25)37-34(40)28-19-29(35(41)38-32-15-9-26(10-16-32)23(3)4)21-30(20-28)36(42)39-33-17-11-27(12-18-33)24(5)6/h7-24H,1-6H3,(H,37,40)(H,38,41)(H,39,42).
What are the key properties of 1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide?
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide has a molecular weight of 561.73 g/mol, XLogP of 8.81, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide is sourced from PubChem (CID 67992142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).