3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline

C28H24N4 — CID 175546630

IUPAC3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline
SMILESCc1ccnc2c1ccc1c(C)ccnc12.Cc1cnc2c(ccc3cc(C)cnc32)c1
InChIInChI=1S/2C14H12N2/c1-9-5-11-3-4-12-6-10(2)8-16-14(12)13(11)15-7-9;1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h2*3-8H,1-2H3
InChIKeyHDHLHHAFIBKULL-UHFFFAOYSA-N
MW416.53 g/mol
LogP6.80
Rot. Bonds

About 3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline

3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline (PubChem CID 175546630) has the molecular formula C28H24N4 and a molecular weight of 416.53 g/mol. Its IUPAC name is 3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline.

Molecular Properties

Compound Name3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline
PubChem CID175546630
Molecular FormulaC28H24N4
Molecular Weight416.53 g/mol
Exact Mass416.20
IUPAC Name3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline
SMILESCc1ccnc2c1ccc1c(C)ccnc12.Cc1cnc2c(ccc3cc(C)cnc32)c1
InChIInChI=1S/2C14H12N2/c1-9-5-11-3-4-12-6-10(2)8-16-14(12)13(11)15-7-9;1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h2*3-8H,1-2H3
InChIKeyHDHLHHAFIBKULL-UHFFFAOYSA-N
XLogP6.80
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,9-dimethyl-1,10-phenanthroline;3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;methane
CID 160893139
3,8-dimethyl-1,10-phenanthroline
CID 159392628
bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline
CID 161472267
2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline
CID 158018927
3,8-dimethyl-1,7-naphthyridine;ethane
CID 142388787
3,8-dimethyl-1,5-naphthyridine
CID 22950376
ethane;4-methylphenanthridine;7-methylphenanthridine;8-methylphenanthridine;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline
CID 161402197
3,4,7-trimethyl-8-[2-(8-methyl-1,10-phenanthrolin-3-yl)ethyl]-1,10-phenanthroline
CID 123787432
7-iodo-3-methylbenzo[h]quinoline
CID 142438987
3-methylfluoranthene;3-methyl-1,7-phenanthroline
CID 175072403
3,6,8-trimethylquinoline
CID 15109946
7-methyl-2-[3-[3-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-1,10-phenanthroline
CID 138662447

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline?
The IUPAC name of 3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline (CID 175546630) is 3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline.
What is the SMILES notation for 3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline?
The canonical SMILES for 3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline is Cc1ccnc2c1ccc1c(C)ccnc12.Cc1cnc2c(ccc3cc(C)cnc32)c1.
What is the InChIKey of 3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline?
The InChIKey is HDHLHHAFIBKULL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12N2/c1-9-5-11-3-4-12-6-10(2)8-16-14(12)13(11)15-7-9;1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h2*3-8H,1-2H3.
What are the key properties of 3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline?
3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline has a molecular weight of 416.53 g/mol, XLogP of 6.80, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline is sourced from PubChem (CID 175546630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).