phenanthrene-9,10-diimine

C14H10N2 — CID 2981

IUPACphenanthrene-9,10-diimine
SMILES[H]/N=C1C(=N\[H])\c2ccccc2-c2ccccc2\1
InChIInChI=1S/C14H10N2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8,15-16H/b15-13-,16-14+
InChIKeyASBFNPBREVZDOE-VCFJNTAESA-N
MW206.25 g/mol
LogP3.10
Rot. Bonds

About phenanthrene-9,10-diimine

phenanthrene-9,10-diimine (PubChem CID 2981) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is phenanthrene-9,10-diimine.

Molecular Properties

Compound Namephenanthrene-9,10-diimine
PubChem CID2981
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Namephenanthrene-9,10-diimine
SMILES[H]/N=C1C(=N\[H])\c2ccccc2-c2ccccc2\1
InChIInChI=1S/C14H10N2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8,15-16H/b15-13-,16-14+
InChIKeyASBFNPBREVZDOE-VCFJNTAESA-N
XLogP3.10
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenanthrene-9,10-diimine?
The IUPAC name of phenanthrene-9,10-diimine (CID 2981) is phenanthrene-9,10-diimine.
What is the SMILES notation for phenanthrene-9,10-diimine?
The canonical SMILES for phenanthrene-9,10-diimine is [H]/N=C1C(=N\[H])\c2ccccc2-c2ccccc2\1.
What is the InChIKey of phenanthrene-9,10-diimine?
The InChIKey is ASBFNPBREVZDOE-VCFJNTAESA-N. The full InChI is InChI=1S/C14H10N2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8,15-16H/b15-13-,16-14+.
What are the key properties of phenanthrene-9,10-diimine?
phenanthrene-9,10-diimine has a molecular weight of 206.25 g/mol, XLogP of 3.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthrene-9,10-diimine is sourced from PubChem (CID 2981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).