4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione

C20H20N2O2 — CID 118555479

IUPAC4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione
SMILESC=CC(=O)C(N)(c1ccccc1)C(N)(C(=O)C=C)c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-3-17(23)19(21,15-11-7-5-8-12-15)20(22,18(24)4-2)16-13-9-6-10-14-16/h3-14H,1-2,21-22H2
InChIKeyOTVGTLBPHZQFBO-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.20
Rot. Bonds7

About 4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione

4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione (PubChem CID 118555479) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione.

Molecular Properties

Compound Name4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione
PubChem CID118555479
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione
SMILESC=CC(=O)C(N)(c1ccccc1)C(N)(C(=O)C=C)c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-3-17(23)19(21,15-11-7-5-8-12-15)20(22,18(24)4-2)16-13-9-6-10-14-16/h3-14H,1-2,21-22H2
InChIKeyOTVGTLBPHZQFBO-UHFFFAOYSA-N
XLogP2.20
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-diphenylethylbenzene;prop-2-enamide
CID 174910563
2-ethenyl-2-phenylbut-3-enamide
CID 121008159
2-hydroxy-3-methyl-2-phenylpent-4-enoic acid
CID 13026557
N-[dihydroxy(phenyl)methyl]prop-2-enamide
CID 155683465
(2-methyl-2-phenylpropyl) prop-2-enoate
CID 141318899
(1-amino-2-cyano-1-phenylethyl) prop-2-enoate
CID 166665054
(3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene
CID 155685834
1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine
CID 67646967
2-amino-2-hydroxy-2-phenylacetamide
CID 149436781
3-amino-3-phenylpentane-2,4-dione
CID 70119036
1-[amino(ethenyl)silyl]-2-hydroxy-2,2-diphenylethanone
CID 152663571
phenyl 2-amino-2,2-diphenylacetate
CID 142678162

Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione?
The IUPAC name of 4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione (CID 118555479) is 4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione.
What is the SMILES notation for 4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione?
The canonical SMILES for 4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione is C=CC(=O)C(N)(c1ccccc1)C(N)(C(=O)C=C)c1ccccc1.
What is the InChIKey of 4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione?
The InChIKey is OTVGTLBPHZQFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-17(23)19(21,15-11-7-5-8-12-15)20(22,18(24)4-2)16-13-9-6-10-14-16/h3-14H,1-2,21-22H2.
What are the key properties of 4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione?
4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione has a molecular weight of 320.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione is sourced from PubChem (CID 118555479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).