5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide

C27H23N3O3 — CID 144544325

IUPAC5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide
SMILESO=C(NC1=CCCC=C1)c1cc(C(=O)Nc2ccccc2)cc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C27H23N3O3/c31-25(28-22-10-4-1-5-11-22)19-16-20(26(32)29-23-12-6-2-7-13-23)18-21(17-19)27(33)30-24-14-8-3-9-15-24/h1-2,4-8,10-18H,3,9H2,(H,28,31)(H,29,32)(H,30,33)
InChIKeyHSAINCXNKKVYOZ-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.15
Rot. Bonds6

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

5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide (PubChem CID 144544325) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide
PubChem CID144544325
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide
SMILESO=C(NC1=CCCC=C1)c1cc(C(=O)Nc2ccccc2)cc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C27H23N3O3/c31-25(28-22-10-4-1-5-11-22)19-16-20(26(32)29-23-12-6-2-7-13-23)18-21(17-19)27(33)30-24-14-8-3-9-15-24/h1-2,4-8,10-18H,3,9H2,(H,28,31)(H,29,32)(H,30,33)
InChIKeyHSAINCXNKKVYOZ-UHFFFAOYSA-N
XLogP5.15
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 144544324
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide
CID 145193521
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-(4-anilinophenyl)-3,5-dichlorobenzamide
CID 17133461
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
4-(phenylcarbamoyl)benzoate
CID 158012761
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
5-isocyanato-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 169354728
N,2,6-triphenylpyrylium-4-carboxamide
CID 2751530
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide?
The IUPAC name of 5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide (CID 144544325) is 5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide.
What is the SMILES notation for 5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide?
The canonical SMILES for 5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide is O=C(NC1=CCCC=C1)c1cc(C(=O)Nc2ccccc2)cc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide?
The InChIKey is HSAINCXNKKVYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c31-25(28-22-10-4-1-5-11-22)19-16-20(26(32)29-23-12-6-2-7-13-23)18-21(17-19)27(33)30-24-14-8-3-9-15-24/h1-2,4-8,10-18H,3,9H2,(H,28,31)(H,29,32)(H,30,33).
What are the key properties of 5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide?
5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide has a molecular weight of 437.50 g/mol, XLogP of 5.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide is sourced from PubChem (CID 144544325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).