4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline

C23H16N2 — CID 145180186

IUPAC4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline
SMILESCc1ccc2cc(-c3ccnc4c3ccc3cccnc34)ccc2c1
InChIInChI=1S/C23H16N2/c1-15-4-5-18-14-19(7-6-17(18)13-15)20-10-12-25-23-21(20)9-8-16-3-2-11-24-22(16)23/h2-14H,1H3
InChIKeyUGJYIRCKOMBAOH-UHFFFAOYSA-N
MW320.40 g/mol
LogP5.91
Rot. Bonds1

About 4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline

4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline (PubChem CID 145180186) has the molecular formula C23H16N2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline
PubChem CID145180186
Molecular FormulaC23H16N2
Molecular Weight320.40 g/mol
Exact Mass320.13
IUPAC Name4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline
SMILESCc1ccc2cc(-c3ccnc4c3ccc3cccnc34)ccc2c1
InChIInChI=1S/C23H16N2/c1-15-4-5-18-14-19(7-6-17(18)13-15)20-10-12-25-23-21(20)9-8-16-3-2-11-24-22(16)23/h2-14H,1H3
InChIKeyUGJYIRCKOMBAOH-UHFFFAOYSA-N
XLogP5.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 55.91
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-(2-methylquinolin-6-yl)-1,10-phenanthroline
CID 145180172
4-[6-[4-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 137484448
2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline
CID 58813339
4-[3-[4-naphthalen-2-yl-6-[3-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 137484515
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline
CID 129201375
4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline
CID 168853179
5-[3-(6-methylnaphthalen-2-yl)-2-pyridinyl]furo[3,2-h]quinoline
CID 176757300
7-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 134559203
8-[4-[4-(7-methylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 166933091
2-[6-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 164780808
4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline
CID 137484439
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium
CID 155747317

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline?
The IUPAC name of 4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline (CID 145180186) is 4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline?
The canonical SMILES for 4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline is Cc1ccc2cc(-c3ccnc4c3ccc3cccnc34)ccc2c1.
What is the InChIKey of 4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline?
The InChIKey is UGJYIRCKOMBAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2/c1-15-4-5-18-14-19(7-6-17(18)13-15)20-10-12-25-23-21(20)9-8-16-3-2-11-24-22(16)23/h2-14H,1H3.
What are the key properties of 4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline?
4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline has a molecular weight of 320.40 g/mol, XLogP of 5.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 145180186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).