1,2,5,6,7,8-hexahydro-1,7-phenanthroline

C12H14N2 — CID 89336035

IUPAC1,2,5,6,7,8-hexahydro-1,7-phenanthroline
SMILESC1=CC2=C(CCC3=C2NCC=C3)NC1
InChIInChI=1S/C12H14N2/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1/h1-4,13-14H,5-8H2
InChIKeyKAZLJVPNAWFWBU-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.61
Rot. Bonds

About 1,2,5,6,7,8-hexahydro-1,7-phenanthroline

1,2,5,6,7,8-hexahydro-1,7-phenanthroline (PubChem CID 89336035) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1,2,5,6,7,8-hexahydro-1,7-phenanthroline.

Molecular Properties

Compound Name1,2,5,6,7,8-hexahydro-1,7-phenanthroline
PubChem CID89336035
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1,2,5,6,7,8-hexahydro-1,7-phenanthroline
SMILESC1=CC2=C(CCC3=C2NCC=C3)NC1
InChIInChI=1S/C12H14N2/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1/h1-4,13-14H,5-8H2
InChIKeyKAZLJVPNAWFWBU-UHFFFAOYSA-N
XLogP1.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,6,7,8-hexahydro-1,7-phenanthroline?
The IUPAC name of 1,2,5,6,7,8-hexahydro-1,7-phenanthroline (CID 89336035) is 1,2,5,6,7,8-hexahydro-1,7-phenanthroline.
What is the SMILES notation for 1,2,5,6,7,8-hexahydro-1,7-phenanthroline?
The canonical SMILES for 1,2,5,6,7,8-hexahydro-1,7-phenanthroline is C1=CC2=C(CCC3=C2NCC=C3)NC1.
What is the InChIKey of 1,2,5,6,7,8-hexahydro-1,7-phenanthroline?
The InChIKey is KAZLJVPNAWFWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1/h1-4,13-14H,5-8H2.
What are the key properties of 1,2,5,6,7,8-hexahydro-1,7-phenanthroline?
1,2,5,6,7,8-hexahydro-1,7-phenanthroline has a molecular weight of 186.26 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6,7,8-hexahydro-1,7-phenanthroline is sourced from PubChem (CID 89336035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).