9-methyl-2-(6-phenyl-2-pyridinyl)-4,4a-dihydro-1,10-phenanthroline

C24H19N3 — CID 167107082

IUPAC9-methyl-2-(6-phenyl-2-pyridinyl)-4,4a-dihydro-1,10-phenanthroline
SMILESCc1ccc2c(n1)C1=NC(c3cccc(-c4ccccc4)n3)=CCC1C=C2
InChIInChI=1S/C24H19N3/c1-16-10-11-18-12-13-19-14-15-22(27-24(19)23(18)25-16)21-9-5-8-20(26-21)17-6-3-2-4-7-17/h2-13,15,19H,14H2,1H3
InChIKeyHMDCDGASWUZOIM-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.33
Rot. Bonds2

About 9-methyl-2-(6-phenyl-2-pyridinyl)-4,4a-dihydro-1,10-phenanthroline

9-methyl-2-(6-phenyl-2-pyridinyl)-4,4a-dihydro-1,10-phenanthroline (PubChem CID 167107082) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 9-methyl-2-(6-phenyl-2-pyridinyl)-4,4a-dihydro-1,10-phenanthroline.

Molecular Properties

Compound Name9-methyl-2-(6-phenyl-2-pyridinyl)-4,4a-dihydro-1,10-phenanthroline
PubChem CID167107082
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name9-methyl-2-(6-phenyl-2-pyridinyl)-4,4a-dihydro-1,10-phenanthroline
SMILESCc1ccc2c(n1)C1=NC(c3cccc(-c4ccccc4)n3)=CCC1C=C2
InChIInChI=1S/C24H19N3/c1-16-10-11-18-12-13-19-14-15-22(27-24(19)23(18)25-16)21-9-5-8-20(26-21)17-6-3-2-4-7-17/h2-13,15,19H,14H2,1H3
InChIKeyHMDCDGASWUZOIM-UHFFFAOYSA-N
XLogP5.33
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-methyl-2-(6-phenyl-2-pyridinyl)-4,4a-dihydro-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-2-(5-phenylcyclohexa-2,4-dien-1-yl)-4,4a-dihydro-1,10-phenanthroline
CID 167107198
2-methyl-6-(6-phenyl-2-pyridinyl)pyridine
CID 14698682
2,9-dichloro-4,4a-dihydro-1,10-phenanthroline
CID 88915351
4-(3-bromophenyl)-2-(4-chlorocyclohexa-2,4-dien-1-yl)-6-phenylpyridine
CID 144989327
2,4-dimethyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazine
CID 14580779
3-(6-phenyl-2-pyridinyl)-6-[6-(6-phenyl-2-pyridinyl)pyridazin-3-yl]pyridazine
CID 67041293
2-(fluoromethyl)-6-phenylpyridine
CID 58240037
2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane
CID 170790101
2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine
CID 130380039
4-[4-[(3E)-hepta-1,3-dien-3-yl]cyclohexa-2,4-dien-1-yl]-2-methyl-6-phenylpyridine
CID 145357962
2-methyl-6-[2-(6-methyl-2-pyridinyl)-3H-pyrrol-5-yl]pyridine
CID 18719422
2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine
CID 169180721

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(6-phenyl-2-pyridinyl)-4,4a-dihydro-1,10-phenanthroline?
The IUPAC name of 9-methyl-2-(6-phenyl-2-pyridinyl)-4,4a-dihydro-1,10-phenanthroline (CID 167107082) is 9-methyl-2-(6-phenyl-2-pyridinyl)-4,4a-dihydro-1,10-phenanthroline.
What is the SMILES notation for 9-methyl-2-(6-phenyl-2-pyridinyl)-4,4a-dihydro-1,10-phenanthroline?
The canonical SMILES for 9-methyl-2-(6-phenyl-2-pyridinyl)-4,4a-dihydro-1,10-phenanthroline is Cc1ccc2c(n1)C1=NC(c3cccc(-c4ccccc4)n3)=CCC1C=C2.
What is the InChIKey of 9-methyl-2-(6-phenyl-2-pyridinyl)-4,4a-dihydro-1,10-phenanthroline?
The InChIKey is HMDCDGASWUZOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-16-10-11-18-12-13-19-14-15-22(27-24(19)23(18)25-16)21-9-5-8-20(26-21)17-6-3-2-4-7-17/h2-13,15,19H,14H2,1H3.
What are the key properties of 9-methyl-2-(6-phenyl-2-pyridinyl)-4,4a-dihydro-1,10-phenanthroline?
9-methyl-2-(6-phenyl-2-pyridinyl)-4,4a-dihydro-1,10-phenanthroline has a molecular weight of 349.44 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(6-phenyl-2-pyridinyl)-4,4a-dihydro-1,10-phenanthroline is sourced from PubChem (CID 167107082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).