2-methylbenzo[b][1,10]phenanthroline

C17H12N2 — CID 11615688

IUPAC2-methylbenzo[b][1,10]phenanthroline
SMILESCc1ccc2ccc3cc4ccccc4nc3c2n1
InChIInChI=1S/C17H12N2/c1-11-6-7-12-8-9-14-10-13-4-2-3-5-15(13)19-17(14)16(12)18-11/h2-10H,1H3
InChIKeyJFZPSZGLVCYHRM-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.24
Rot. Bonds

About 2-methylbenzo[b][1,10]phenanthroline

2-methylbenzo[b][1,10]phenanthroline (PubChem CID 11615688) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-methylbenzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name2-methylbenzo[b][1,10]phenanthroline
PubChem CID11615688
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name2-methylbenzo[b][1,10]phenanthroline
SMILESCc1ccc2ccc3cc4ccccc4nc3c2n1
InChIInChI=1S/C17H12N2/c1-11-6-7-12-8-9-14-10-13-4-2-3-5-15(13)19-17(14)16(12)18-11/h2-10H,1H3
InChIKeyJFZPSZGLVCYHRM-UHFFFAOYSA-N
XLogP4.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylbenzo[b][1,10]phenanthroline?
The IUPAC name of 2-methylbenzo[b][1,10]phenanthroline (CID 11615688) is 2-methylbenzo[b][1,10]phenanthroline.
What is the SMILES notation for 2-methylbenzo[b][1,10]phenanthroline?
The canonical SMILES for 2-methylbenzo[b][1,10]phenanthroline is Cc1ccc2ccc3cc4ccccc4nc3c2n1.
What is the InChIKey of 2-methylbenzo[b][1,10]phenanthroline?
The InChIKey is JFZPSZGLVCYHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-11-6-7-12-8-9-14-10-13-4-2-3-5-15(13)19-17(14)16(12)18-11/h2-10H,1H3.
What are the key properties of 2-methylbenzo[b][1,10]phenanthroline?
2-methylbenzo[b][1,10]phenanthroline has a molecular weight of 244.30 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzo[b][1,10]phenanthroline is sourced from PubChem (CID 11615688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).