2,3,4,7,8,9-hexahydro-1,10-phenanthroline

C12H14N2 — CID 70102714

IUPAC2,3,4,7,8,9-hexahydro-1,10-phenanthroline
SMILESc1cc2c(c3c1CCCN=3)=NCCC2
InChIInChI=1S/C12H14N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h5-6H,1-4,7-8H2
InChIKeyPPLCQAZJDMQAAE-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.82
Rot. Bonds

About 2,3,4,7,8,9-hexahydro-1,10-phenanthroline

2,3,4,7,8,9-hexahydro-1,10-phenanthroline (PubChem CID 70102714) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2,3,4,7,8,9-hexahydro-1,10-phenanthroline.

Molecular Properties

Compound Name2,3,4,7,8,9-hexahydro-1,10-phenanthroline
PubChem CID70102714
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2,3,4,7,8,9-hexahydro-1,10-phenanthroline
SMILESc1cc2c(c3c1CCCN=3)=NCCC2
InChIInChI=1S/C12H14N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h5-6H,1-4,7-8H2
InChIKeyPPLCQAZJDMQAAE-UHFFFAOYSA-N
XLogP0.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,7,8,9-hexahydro-1,10-phenanthroline?
The IUPAC name of 2,3,4,7,8,9-hexahydro-1,10-phenanthroline (CID 70102714) is 2,3,4,7,8,9-hexahydro-1,10-phenanthroline.
What is the SMILES notation for 2,3,4,7,8,9-hexahydro-1,10-phenanthroline?
The canonical SMILES for 2,3,4,7,8,9-hexahydro-1,10-phenanthroline is c1cc2c(c3c1CCCN=3)=NCCC2.
What is the InChIKey of 2,3,4,7,8,9-hexahydro-1,10-phenanthroline?
The InChIKey is PPLCQAZJDMQAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h5-6H,1-4,7-8H2.
What are the key properties of 2,3,4,7,8,9-hexahydro-1,10-phenanthroline?
2,3,4,7,8,9-hexahydro-1,10-phenanthroline has a molecular weight of 186.26 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7,8,9-hexahydro-1,10-phenanthroline is sourced from PubChem (CID 70102714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).