1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline

C16H14N2 — CID 71133090

IUPAC1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline
SMILESC1=Cc2c(c3c(c4ccccc24)C=CCN3)NC1
InChIInChI=1S/C16H14N2/c1-2-6-12-11(5-1)13-7-3-9-17-15(13)16-14(12)8-4-10-18-16/h1-8,17-18H,9-10H2
InChIKeyKJTBXNUIMZHNFC-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.72
Rot. Bonds

About 1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline

1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline (PubChem CID 71133090) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline.

Molecular Properties

Compound Name1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline
PubChem CID71133090
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline
SMILESC1=Cc2c(c3c(c4ccccc24)C=CCN3)NC1
InChIInChI=1S/C16H14N2/c1-2-6-12-11(5-1)13-7-3-9-17-15(13)16-14(12)8-4-10-18-16/h1-8,17-18H,9-10H2
InChIKeyKJTBXNUIMZHNFC-UHFFFAOYSA-N
XLogP3.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline?
The IUPAC name of 1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline (CID 71133090) is 1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline.
What is the SMILES notation for 1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline?
The canonical SMILES for 1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline is C1=Cc2c(c3c(c4ccccc24)C=CCN3)NC1.
What is the InChIKey of 1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline?
The InChIKey is KJTBXNUIMZHNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-2-6-12-11(5-1)13-7-3-9-17-15(13)16-14(12)8-4-10-18-16/h1-8,17-18H,9-10H2.
What are the key properties of 1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline?
1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline has a molecular weight of 234.30 g/mol, XLogP of 3.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline is sourced from PubChem (CID 71133090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).