7-(3-methylphenyl)-2,8-phenanthroline

C19H14N2 — CID 168852625

IUPAC7-(3-methylphenyl)-2,8-phenanthroline
SMILESCc1cccc(-c2nccc3c2ccc2ccncc23)c1
InChIInChI=1S/C19H14N2/c1-13-3-2-4-15(11-13)19-17-6-5-14-7-9-20-12-18(14)16(17)8-10-21-19/h2-12H,1H3
InChIKeyLIUMCQDYKBWAKO-UHFFFAOYSA-N
MW270.34 g/mol
LogP4.76
Rot. Bonds1

About 7-(3-methylphenyl)-2,8-phenanthroline

7-(3-methylphenyl)-2,8-phenanthroline (PubChem CID 168852625) has the molecular formula C19H14N2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 7-(3-methylphenyl)-2,8-phenanthroline.

Molecular Properties

Compound Name7-(3-methylphenyl)-2,8-phenanthroline
PubChem CID168852625
Molecular FormulaC19H14N2
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC Name7-(3-methylphenyl)-2,8-phenanthroline
SMILESCc1cccc(-c2nccc3c2ccc2ccncc23)c1
InChIInChI=1S/C19H14N2/c1-13-3-2-4-15(11-13)19-17-6-5-14-7-9-20-12-18(14)16(17)8-10-21-19/h2-12H,1H3
InChIKeyLIUMCQDYKBWAKO-UHFFFAOYSA-N
XLogP4.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 54.76
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

8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline
CID 118595089
8-methyl-1-phenylnaphtho[2,1-f]isoquinoline
CID 118595090
4-(3,5-dimethylphenyl)-8,9-dimethylbenzo[f]isoquinoline
CID 159366512
4-(3,5-dimethylphenyl)-9-ethylbenzo[f]isoquinoline
CID 158944729
6-(3-tert-butyl-5-methylphenyl)-7-azapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,12,15,17,19,21-undecaene
CID 171417966
1-[11,11-dimethyl-1-(3-methylphenyl)fluoreno[2,1-f]isoquinolin-9-yl]ethanone
CID 171734748
4-(3,5-dimethylphenyl)benzo[f]isoquinolin-8-amine
CID 171576489
2,9-phenanthroline
CID 23271029
1-(2,5-dimethylphenyl)-2,9-phenanthroline
CID 67025184
iridium;1-[3-(3-methylphenyl)benzene-6-id-1-yl]isoquinoline
CID 147779107
8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline
CID 155619475
11,11-dimethyl-1-(3-methylphenyl)-9-(trifluoromethyl)fluoreno[2,1-f]isoquinoline
CID 171734659

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylphenyl)-2,8-phenanthroline?
The IUPAC name of 7-(3-methylphenyl)-2,8-phenanthroline (CID 168852625) is 7-(3-methylphenyl)-2,8-phenanthroline.
What is the SMILES notation for 7-(3-methylphenyl)-2,8-phenanthroline?
The canonical SMILES for 7-(3-methylphenyl)-2,8-phenanthroline is Cc1cccc(-c2nccc3c2ccc2ccncc23)c1.
What is the InChIKey of 7-(3-methylphenyl)-2,8-phenanthroline?
The InChIKey is LIUMCQDYKBWAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2/c1-13-3-2-4-15(11-13)19-17-6-5-14-7-9-20-12-18(14)16(17)8-10-21-19/h2-12H,1H3.
What are the key properties of 7-(3-methylphenyl)-2,8-phenanthroline?
7-(3-methylphenyl)-2,8-phenanthroline has a molecular weight of 270.34 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylphenyl)-2,8-phenanthroline is sourced from PubChem (CID 168852625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).