2,3-dibenzyl-1,10-phenanthroline

C26H20N2 — CID 159421290

IUPAC2,3-dibenzyl-1,10-phenanthroline
SMILESc1ccc(Cc2cc3ccc4cccnc4c3nc2Cc2ccccc2)cc1
InChIInChI=1S/C26H20N2/c1-3-8-19(9-4-1)16-23-18-22-14-13-21-12-7-15-27-25(21)26(22)28-24(23)17-20-10-5-2-6-11-20/h1-15,18H,16-17H2
InChIKeyHWPKYTXHBGQVON-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.96
Rot. Bonds4

About 2,3-dibenzyl-1,10-phenanthroline

2,3-dibenzyl-1,10-phenanthroline (PubChem CID 159421290) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2,3-dibenzyl-1,10-phenanthroline.

Molecular Properties

Compound Name2,3-dibenzyl-1,10-phenanthroline
PubChem CID159421290
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name2,3-dibenzyl-1,10-phenanthroline
SMILESc1ccc(Cc2cc3ccc4cccnc4c3nc2Cc2ccccc2)cc1
InChIInChI=1S/C26H20N2/c1-3-8-19(9-4-1)16-23-18-22-14-13-21-12-7-15-27-25(21)26(22)28-24(23)17-20-10-5-2-6-11-20/h1-15,18H,16-17H2
InChIKeyHWPKYTXHBGQVON-UHFFFAOYSA-N
XLogP5.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.96
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

bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
bis(2,3-dimethyl-1,10-phenanthroline);hydrate
CID 174743751
2-(8-benzylquinolin-7-yl)-1-phenylethanol
CID 143636594
2-[6-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]-2-pyridinyl]-1,10-phenanthroline
CID 158270665
benzylbenzene;quinoline
CID 157081554
3-benzyl-2-chloropyridine
CID 22768075

Frequently Asked Questions

What is the IUPAC name of 2,3-dibenzyl-1,10-phenanthroline?
The IUPAC name of 2,3-dibenzyl-1,10-phenanthroline (CID 159421290) is 2,3-dibenzyl-1,10-phenanthroline.
What is the SMILES notation for 2,3-dibenzyl-1,10-phenanthroline?
The canonical SMILES for 2,3-dibenzyl-1,10-phenanthroline is c1ccc(Cc2cc3ccc4cccnc4c3nc2Cc2ccccc2)cc1.
What is the InChIKey of 2,3-dibenzyl-1,10-phenanthroline?
The InChIKey is HWPKYTXHBGQVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c1-3-8-19(9-4-1)16-23-18-22-14-13-21-12-7-15-27-25(21)26(22)28-24(23)17-20-10-5-2-6-11-20/h1-15,18H,16-17H2.
What are the key properties of 2,3-dibenzyl-1,10-phenanthroline?
2,3-dibenzyl-1,10-phenanthroline has a molecular weight of 360.46 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibenzyl-1,10-phenanthroline is sourced from PubChem (CID 159421290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).