2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione

C26H16O2 — CID 22501380

IUPAC2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C(c2cccc3ccccc23)=C1c1cccc2ccccc12
InChIInChI=1S/C26H16O2/c27-23-15-16-24(28)26(22-14-6-10-18-8-2-4-12-20(18)22)25(23)21-13-5-9-17-7-1-3-11-19(17)21/h1-16H
InChIKeyWPLFROYPYAOBJZ-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.61
Rot. Bonds2

About 2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione

2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione (PubChem CID 22501380) has the molecular formula C26H16O2 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione
PubChem CID22501380
Molecular FormulaC26H16O2
Molecular Weight360.41 g/mol
Exact Mass360.12
IUPAC Name2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C(c2cccc3ccccc23)=C1c1cccc2ccccc12
InChIInChI=1S/C26H16O2/c27-23-15-16-24(28)26(22-14-6-10-18-8-2-4-12-20(18)22)25(23)21-13-5-9-17-7-1-3-11-19(17)21/h1-16H
InChIKeyWPLFROYPYAOBJZ-UHFFFAOYSA-N
XLogP5.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
3-bromo-2-naphthalen-1-ylinden-1-one
CID 13310220
2-phenanthren-1-ylcyclohexa-2,5-diene-1,4-dione;hydrate
CID 175130283
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
2,5-dimethyl-1,4-dinaphthalen-1-ylpyrrolo[3,4-c]pyrrole-3,6-dione
CID 22648583
12,24-dinaphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
CID 123249303
tricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8,10-hexaen-12-one
CID 70393273

Frequently Asked Questions

What is the IUPAC name of 2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione (CID 22501380) is 2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione is O=C1C=CC(=O)C(c2cccc3ccccc23)=C1c1cccc2ccccc12.
What is the InChIKey of 2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is WPLFROYPYAOBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O2/c27-23-15-16-24(28)26(22-14-6-10-18-8-2-4-12-20(18)22)25(23)21-13-5-9-17-7-1-3-11-19(17)21/h1-16H.
What are the key properties of 2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione?
2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 360.41 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 22501380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).