5,6-dimethyl-1,7-phenanthroline

C14H12N2 — CID 67494959

IUPAC5,6-dimethyl-1,7-phenanthroline
SMILESCc1c(C)c2ncccc2c2ncccc12
InChIInChI=1S/C14H12N2/c1-9-10(2)13-12(6-4-7-15-13)14-11(9)5-3-8-16-14/h3-8H,1-2H3
InChIKeyPJJFQIVBQWQIPX-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.40
Rot. Bonds

About 5,6-dimethyl-1,7-phenanthroline

5,6-dimethyl-1,7-phenanthroline (PubChem CID 67494959) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5,6-dimethyl-1,7-phenanthroline.

Molecular Properties

Compound Name5,6-dimethyl-1,7-phenanthroline
PubChem CID67494959
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name5,6-dimethyl-1,7-phenanthroline
SMILESCc1c(C)c2ncccc2c2ncccc12
InChIInChI=1S/C14H12N2/c1-9-10(2)13-12(6-4-7-15-13)14-11(9)5-3-8-16-14/h3-8H,1-2H3
InChIKeyPJJFQIVBQWQIPX-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

3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride
CID 90466727
5,10,11-trimethylpyrido[2,3-b]carbazole
CID 155813687
bis(2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene);ruthenium;hexakis(3,4,7,8-tetramethyl-1,10-phenanthroline)
CID 165088824
[(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+)
CID 44626415
5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 175634953
6-methylquinoline-5,7,8-triol
CID 137159814
6-methylpyrido[2,3-c][1,5]naphthyridine
CID 163955325
benzo[h]quinoline;naphthalene
CID 175017782
CID 87856781
CID 87856781
2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline
CID 11425448
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,7-phenanthroline?
The IUPAC name of 5,6-dimethyl-1,7-phenanthroline (CID 67494959) is 5,6-dimethyl-1,7-phenanthroline.
What is the SMILES notation for 5,6-dimethyl-1,7-phenanthroline?
The canonical SMILES for 5,6-dimethyl-1,7-phenanthroline is Cc1c(C)c2ncccc2c2ncccc12.
What is the InChIKey of 5,6-dimethyl-1,7-phenanthroline?
The InChIKey is PJJFQIVBQWQIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-9-10(2)13-12(6-4-7-15-13)14-11(9)5-3-8-16-14/h3-8H,1-2H3.
What are the key properties of 5,6-dimethyl-1,7-phenanthroline?
5,6-dimethyl-1,7-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-1,7-phenanthroline is sourced from PubChem (CID 67494959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).