2,7-phenanthroline;1,4-xylene

C20H18N2 — CID 67025193

IUPAC2,7-phenanthroline;1,4-xylene
SMILESCc1ccc(C)cc1.c1cnc2ccc3ccncc3c2c1
InChIInChI=1S/C12H8N2.C8H10/c1-2-10-11-8-13-7-5-9(11)3-4-12(10)14-6-1;1-7-3-5-8(2)6-4-7/h1-8H;3-6H,1-2H3
InChIKeyQMRUZXFPIBRTNE-UHFFFAOYSA-N
MW286.38 g/mol
LogP5.09
Rot. Bonds

About 2,7-phenanthroline;1,4-xylene

2,7-phenanthroline;1,4-xylene (PubChem CID 67025193) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2,7-phenanthroline;1,4-xylene.

Molecular Properties

Compound Name2,7-phenanthroline;1,4-xylene
PubChem CID67025193
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name2,7-phenanthroline;1,4-xylene
SMILESCc1ccc(C)cc1.c1cnc2ccc3ccncc3c2c1
InChIInChI=1S/C12H8N2.C8H10/c1-2-10-11-8-13-7-5-9(11)3-4-12(10)14-6-1;1-7-3-5-8(2)6-4-7/h1-8H;3-6H,1-2H3
InChIKeyQMRUZXFPIBRTNE-UHFFFAOYSA-N
XLogP5.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.38
LogP ≤ 55.09
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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Frequently Asked Questions

What is the IUPAC name of 2,7-phenanthroline;1,4-xylene?
The IUPAC name of 2,7-phenanthroline;1,4-xylene (CID 67025193) is 2,7-phenanthroline;1,4-xylene.
What is the SMILES notation for 2,7-phenanthroline;1,4-xylene?
The canonical SMILES for 2,7-phenanthroline;1,4-xylene is Cc1ccc(C)cc1.c1cnc2ccc3ccncc3c2c1.
What is the InChIKey of 2,7-phenanthroline;1,4-xylene?
The InChIKey is QMRUZXFPIBRTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C8H10/c1-2-10-11-8-13-7-5-9(11)3-4-12(10)14-6-1;1-7-3-5-8(2)6-4-7/h1-8H;3-6H,1-2H3.
What are the key properties of 2,7-phenanthroline;1,4-xylene?
2,7-phenanthroline;1,4-xylene has a molecular weight of 286.38 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-phenanthroline;1,4-xylene is sourced from PubChem (CID 67025193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).