5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide

C30H29N3O3 — CID 143180347

IUPAC5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide
SMILESCN(C(=O)c1cc(C(=O)N(C)c2ccccc2)cc(C(=O)N(C)C2C=CC=CC2)c1)c1ccccc1
InChIInChI=1S/C30H29N3O3/c1-31(25-13-7-4-8-14-25)28(34)22-19-23(29(35)32(2)26-15-9-5-10-16-26)21-24(20-22)30(36)33(3)27-17-11-6-12-18-27/h4-17,19-21,27H,18H2,1-3H3
InChIKeyVLMOHEQRCBTEAV-UHFFFAOYSA-N
MW479.58 g/mol
LogP5.20
Rot. Bonds6

About 5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide

5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide (PubChem CID 143180347) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is 5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide
PubChem CID143180347
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC Name5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide
SMILESCN(C(=O)c1cc(C(=O)N(C)c2ccccc2)cc(C(=O)N(C)C2C=CC=CC2)c1)c1ccccc1
InChIInChI=1S/C30H29N3O3/c1-31(25-13-7-4-8-14-25)28(34)22-19-23(29(35)32(2)26-15-9-5-10-16-26)21-24(20-22)30(36)33(3)27-17-11-6-12-18-27/h4-17,19-21,27H,18H2,1-3H3
InChIKeyVLMOHEQRCBTEAV-UHFFFAOYSA-N
XLogP5.20
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide with MolForge

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Related Compounds

N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide
CID 134109031
3,5-dichloro-N-methyl-N-phenylbenzamide;ethane
CID 156791859
5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene
CID 143365757
1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119552240
N-[2-[benzoyl(methyl)amino]cyclohexa-2,4-dien-1-yl]-N-methylbenzamide
CID 143365764
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid
CID 44726898
(1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide
CID 92533966
3,4-dihydroxy-N-methyl-N-phenylbenzamide
CID 113199261
3-amino-N,4-dimethyl-N-phenylbenzamide
CID 16771335
1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide
CID 163938598
(1R,6R)-6-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6977837

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide?
The IUPAC name of 5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide (CID 143180347) is 5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide.
What is the SMILES notation for 5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide?
The canonical SMILES for 5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide is CN(C(=O)c1cc(C(=O)N(C)c2ccccc2)cc(C(=O)N(C)C2C=CC=CC2)c1)c1ccccc1.
What is the InChIKey of 5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide?
The InChIKey is VLMOHEQRCBTEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-31(25-13-7-4-8-14-25)28(34)22-19-23(29(35)32(2)26-15-9-5-10-16-26)21-24(20-22)30(36)33(3)27-17-11-6-12-18-27/h4-17,19-21,27H,18H2,1-3H3.
What are the key properties of 5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide?
5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide has a molecular weight of 479.58 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide is sourced from PubChem (CID 143180347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).