5,6-dimethyl-2,8-phenanthroline

C14H12N2 — CID 139435789

IUPAC5,6-dimethyl-2,8-phenanthroline
SMILESCc1c(C)c2ccncc2c2ccncc12
InChIInChI=1S/C14H12N2/c1-9-10(2)13-7-15-6-4-12(13)14-8-16-5-3-11(9)14/h3-8H,1-2H3
InChIKeyAFCSVGQJMLXEKZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.40
Rot. Bonds

About 5,6-dimethyl-2,8-phenanthroline

5,6-dimethyl-2,8-phenanthroline (PubChem CID 139435789) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5,6-dimethyl-2,8-phenanthroline.

Molecular Properties

Compound Name5,6-dimethyl-2,8-phenanthroline
PubChem CID139435789
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name5,6-dimethyl-2,8-phenanthroline
SMILESCc1c(C)c2ccncc2c2ccncc12
InChIInChI=1S/C14H12N2/c1-9-10(2)13-7-15-6-4-12(13)14-8-16-5-3-11(9)14/h3-8H,1-2H3
InChIKeyAFCSVGQJMLXEKZ-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

4,9-dimethyl-[1,2,5]thiadiazolo[3,4-g]isoquinoline
CID 146576736
2,9-phenanthroline-5,6-diamine
CID 118108253
4-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene
CID 146641531
8-methyl-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,8,10-hexaene
CID 162284750
azane;5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 118981774
5,7,11-trimethyl-6H-pyrido[4,3-b]carbazole
CID 71407414
5-fluoro-8-methylisoquinoline
CID 125425947
CID 171812970
CID 171812970
5-bromo-8-chloro-7-methylisoquinoline
CID 125427065
4-chloro-1-methyl-2,6-naphthyridine
CID 177329446
9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole
CID 56673067
3,8-phenanthroline
CID 13064691

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2,8-phenanthroline?
The IUPAC name of 5,6-dimethyl-2,8-phenanthroline (CID 139435789) is 5,6-dimethyl-2,8-phenanthroline.
What is the SMILES notation for 5,6-dimethyl-2,8-phenanthroline?
The canonical SMILES for 5,6-dimethyl-2,8-phenanthroline is Cc1c(C)c2ccncc2c2ccncc12.
What is the InChIKey of 5,6-dimethyl-2,8-phenanthroline?
The InChIKey is AFCSVGQJMLXEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-9-10(2)13-7-15-6-4-12(13)14-8-16-5-3-11(9)14/h3-8H,1-2H3.
What are the key properties of 5,6-dimethyl-2,8-phenanthroline?
5,6-dimethyl-2,8-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 5,6-dimethyl-2,8-phenanthroline is sourced from PubChem (CID 139435789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).