5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline

C34H24N2 — CID 20596675

IUPAC5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline
SMILESCc1c(C)c2ccc(-c3cccc4ccccc34)nc2c2nc(-c3cccc4ccccc34)ccc12
InChIInChI=1S/C34H24N2/c1-21-22(2)26-18-20-32(30-16-8-12-24-10-4-6-14-28(24)30)36-34(26)33-25(21)17-19-31(35-33)29-15-7-11-23-9-3-5-13-27(23)29/h3-20H,1-2H3
InChIKeyXLHGLQWBFXKBPF-UHFFFAOYSA-N
MW460.58 g/mol
LogP9.04
Rot. Bonds2

About 5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline

5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline (PubChem CID 20596675) has the molecular formula C34H24N2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline.

Molecular Properties

Compound Name5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline
PubChem CID20596675
Molecular FormulaC34H24N2
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC Name5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline
SMILESCc1c(C)c2ccc(-c3cccc4ccccc34)nc2c2nc(-c3cccc4ccccc34)ccc12
InChIInChI=1S/C34H24N2/c1-21-22(2)26-18-20-32(30-16-8-12-24-10-4-6-14-28(24)30)36-34(26)33-25(21)17-19-31(35-33)29-15-7-11-23-9-3-5-13-27(23)29/h3-20H,1-2H3
InChIKeyXLHGLQWBFXKBPF-UHFFFAOYSA-N
XLogP9.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 59.04
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

2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline
CID 164937856
5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 175634953
5,6-dimethyl-2-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline
CID 175634950
3-naphthalen-1-ylbenzo[f]quinoline
CID 59470281
5-methyl-2-naphthalen-1-ylpyridine
CID 59742245
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279
2-naphthalen-1-yl-4,7-di(quinolin-2-yl)-1,10-phenanthroline
CID 163663033
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 145221325
trimethyl-(6-naphthalen-1-yl-2-propan-2-yl-3-pyridinyl)silane
CID 140739449
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,7,8-tetramethyl-9-naphthalen-1-yl-1,10-phenanthroline
CID 175635549
2-methyl-5-naphthalen-1-ylpyrazine
CID 118148882
9,10-dimethyl-3-naphthalen-1-ylphenanthrene
CID 158591349

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline?
The IUPAC name of 5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline (CID 20596675) is 5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline.
What is the SMILES notation for 5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline?
The canonical SMILES for 5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline is Cc1c(C)c2ccc(-c3cccc4ccccc34)nc2c2nc(-c3cccc4ccccc34)ccc12.
What is the InChIKey of 5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline?
The InChIKey is XLHGLQWBFXKBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2/c1-21-22(2)26-18-20-32(30-16-8-12-24-10-4-6-14-28(24)30)36-34(26)33-25(21)17-19-31(35-33)29-15-7-11-23-9-3-5-13-27(23)29/h3-20H,1-2H3.
What are the key properties of 5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline?
5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline has a molecular weight of 460.58 g/mol, XLogP of 9.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline is sourced from PubChem (CID 20596675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).