(10E)-10-diazophenanthren-9-one

C14H8N2O — CID 139225996

IUPAC(10E)-10-diazophenanthren-9-one
SMILES[N-]=[N+]=C1C(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C14H8N2O/c15-16-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)17/h1-8H
InChIKeyGEOQDCBHAVUVST-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.57
Rot. Bonds

About (10E)-10-diazophenanthren-9-one

(10E)-10-diazophenanthren-9-one (PubChem CID 139225996) has the molecular formula C14H8N2O and a molecular weight of 220.23 g/mol. Its IUPAC name is (10E)-10-diazophenanthren-9-one.

Molecular Properties

Compound Name(10E)-10-diazophenanthren-9-one
PubChem CID139225996
Molecular FormulaC14H8N2O
Molecular Weight220.23 g/mol
Exact Mass220.06
IUPAC Name(10E)-10-diazophenanthren-9-one
SMILES[N-]=[N+]=C1C(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C14H8N2O/c15-16-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)17/h1-8H
InChIKeyGEOQDCBHAVUVST-UHFFFAOYSA-N
XLogP2.57
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10E)-10-diazophenanthren-9-one?
The IUPAC name of (10E)-10-diazophenanthren-9-one (CID 139225996) is (10E)-10-diazophenanthren-9-one.
What is the SMILES notation for (10E)-10-diazophenanthren-9-one?
The canonical SMILES for (10E)-10-diazophenanthren-9-one is [N-]=[N+]=C1C(=O)c2ccccc2-c2ccccc21.
What is the InChIKey of (10E)-10-diazophenanthren-9-one?
The InChIKey is GEOQDCBHAVUVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O/c15-16-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)17/h1-8H.
What are the key properties of (10E)-10-diazophenanthren-9-one?
(10E)-10-diazophenanthren-9-one has a molecular weight of 220.23 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-10-diazophenanthren-9-one is sourced from PubChem (CID 139225996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).