2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione

C18H13NO2 — CID 150421175

IUPAC2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione
SMILESNC1=C(c2ccccc2)C(=O)C(c2ccccc2)=CC1=O
InChIInChI=1S/C18H13NO2/c19-17-15(20)11-14(12-7-3-1-4-8-12)18(21)16(17)13-9-5-2-6-10-13/h1-11H,19H2
InChIKeyHHUUDRCAGFJSAU-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.59
Rot. Bonds2

About 2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione

2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione (PubChem CID 150421175) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione
PubChem CID150421175
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione
SMILESNC1=C(c2ccccc2)C(=O)C(c2ccccc2)=CC1=O
InChIInChI=1S/C18H13NO2/c19-17-15(20)11-14(12-7-3-1-4-8-12)18(21)16(17)13-9-5-2-6-10-13/h1-11H,19H2
InChIKeyHHUUDRCAGFJSAU-UHFFFAOYSA-N
XLogP2.59
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2,5-diphenylcyclohexa-2,5-diene-1,4-dione
CID 150862590
2,3,4-triphenylcyclopenta-2,4-dien-1-one
CID 12722873
phenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one
CID 174428112
2~4~-[(3-Silylpropyl)amino][1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~5~-dione
CID 78060596
2-phenylanthracene-1,4-dione
CID 165358923
3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 150304868
2-phenylinden-1-one
CID 10878305
2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione
CID 132524293
ethane;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 91380826
2-(4-oxo-2,5-diphenylcyclohexa-2,5-dien-1-ylidene)-4-(triphenyl-lambda5-phosphanylidene)cyclobutane-1,3-dione
CID 15253825
cyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione
CID 158662900
3,4-bis(4-bromophenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 3106868

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione (CID 150421175) is 2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione is NC1=C(c2ccccc2)C(=O)C(c2ccccc2)=CC1=O.
What is the InChIKey of 2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is HHUUDRCAGFJSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c19-17-15(20)11-14(12-7-3-1-4-8-12)18(21)16(17)13-9-5-2-6-10-13/h1-11H,19H2.
What are the key properties of 2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione?
2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 275.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 150421175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).