1,10-dimethyl-2,9-phenanthroline

C14H12N2 — CID 118895257

IUPAC1,10-dimethyl-2,9-phenanthroline
SMILESCc1nccc2ccc3ccnc(C)c3c12
InChIInChI=1S/C14H12N2/c1-9-13-11(5-7-15-9)3-4-12-6-8-16-10(2)14(12)13/h3-8H,1-2H3
InChIKeyXRFJHHYSLIAQLH-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.40
Rot. Bonds

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

1,10-dimethyl-2,9-phenanthroline (PubChem CID 118895257) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1,10-dimethyl-2,9-phenanthroline.

Molecular Properties

Compound Name1,10-dimethyl-2,9-phenanthroline
PubChem CID118895257
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name1,10-dimethyl-2,9-phenanthroline
SMILESCc1nccc2ccc3ccnc(C)c3c12
InChIInChI=1S/C14H12N2/c1-9-13-11(5-7-15-9)3-4-12-6-8-16-10(2)14(12)13/h3-8H,1-2H3
InChIKeyXRFJHHYSLIAQLH-UHFFFAOYSA-N
XLogP3.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.40
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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1-methyl-8-(trifluoromethyl)isoquinoline
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2,8-dimethyl-1,7-naphthyridine
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8-methoxy-1-methylisoquinoline-7-carboxylic acid
CID 84682582
5-methyl-2,6-naphthyridin-4-ol
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5,8-difluoro-1-methylisoquinoline
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5,12-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene;5,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
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1,6-dimethylisoquinoline;ethane
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1-methylbenzo[h]isoquinoline;1-methylindazole
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1,6,7-trimethylisoquinoline
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Frequently Asked Questions

What is the IUPAC name of 1,10-dimethyl-2,9-phenanthroline?
The IUPAC name of 1,10-dimethyl-2,9-phenanthroline (CID 118895257) is 1,10-dimethyl-2,9-phenanthroline.
What is the SMILES notation for 1,10-dimethyl-2,9-phenanthroline?
The canonical SMILES for 1,10-dimethyl-2,9-phenanthroline is Cc1nccc2ccc3ccnc(C)c3c12.
What is the InChIKey of 1,10-dimethyl-2,9-phenanthroline?
The InChIKey is XRFJHHYSLIAQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-9-13-11(5-7-15-9)3-4-12-6-8-16-10(2)14(12)13/h3-8H,1-2H3.
What are the key properties of 1,10-dimethyl-2,9-phenanthroline?
1,10-dimethyl-2,9-phenanthroline has a molecular weight of 208.26 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethyl-2,9-phenanthroline is sourced from PubChem (CID 118895257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).