2,9-dimethylidene-1,10-phenanthroline

C14H10N2 — CID 123544525

IUPAC2,9-dimethylidene-1,10-phenanthroline
SMILESC=c1ccc2ccc3ccc(=C)nc3c2n1
InChIInChI=1S/C14H10N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H2
InChIKeySBXBARSOUBQDSL-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.60
Rot. Bonds

About 2,9-dimethylidene-1,10-phenanthroline

2,9-dimethylidene-1,10-phenanthroline (PubChem CID 123544525) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2,9-dimethylidene-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-dimethylidene-1,10-phenanthroline
PubChem CID123544525
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name2,9-dimethylidene-1,10-phenanthroline
SMILESC=c1ccc2ccc3ccc(=C)nc3c2n1
InChIInChI=1S/C14H10N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H2
InChIKeySBXBARSOUBQDSL-UHFFFAOYSA-N
XLogP1.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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(1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 134980390
19,26-Diazadodecacyclo[38.2.2.22,5.26,9.210,13.214,17.218,21.224,27.228,31.232,35.236,39.020,25]dohexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61-hentriacontaene
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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethylidene-1,10-phenanthroline?
The IUPAC name of 2,9-dimethylidene-1,10-phenanthroline (CID 123544525) is 2,9-dimethylidene-1,10-phenanthroline.
What is the SMILES notation for 2,9-dimethylidene-1,10-phenanthroline?
The canonical SMILES for 2,9-dimethylidene-1,10-phenanthroline is C=c1ccc2ccc3ccc(=C)nc3c2n1.
What is the InChIKey of 2,9-dimethylidene-1,10-phenanthroline?
The InChIKey is SBXBARSOUBQDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H2.
What are the key properties of 2,9-dimethylidene-1,10-phenanthroline?
2,9-dimethylidene-1,10-phenanthroline has a molecular weight of 206.25 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethylidene-1,10-phenanthroline is sourced from PubChem (CID 123544525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).