8,9-dimethoxybenzo[c][1,8]phenanthroline

C18H14N2O2 — CID 10424307

IUPAC8,9-dimethoxybenzo[c][1,8]phenanthroline
SMILESCOc1cc2cnc3c4ccncc4ccc3c2cc1OC
InChIInChI=1S/C18H14N2O2/c1-21-16-7-12-10-20-18-13-5-6-19-9-11(13)3-4-14(18)15(12)8-17(16)22-2/h3-10H,1-2H3
InChIKeyDUVIXYRCCRMMGG-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.95
Rot. Bonds2

About 8,9-dimethoxybenzo[c][1,8]phenanthroline

8,9-dimethoxybenzo[c][1,8]phenanthroline (PubChem CID 10424307) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 8,9-dimethoxybenzo[c][1,8]phenanthroline.

Molecular Properties

Compound Name8,9-dimethoxybenzo[c][1,8]phenanthroline
PubChem CID10424307
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name8,9-dimethoxybenzo[c][1,8]phenanthroline
SMILESCOc1cc2cnc3c4ccncc4ccc3c2cc1OC
InChIInChI=1S/C18H14N2O2/c1-21-16-7-12-10-20-18-13-5-6-19-9-11(13)3-4-14(18)15(12)8-17(16)22-2/h3-10H,1-2H3
InChIKeyDUVIXYRCCRMMGG-UHFFFAOYSA-N
XLogP3.95
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 8,9-dimethoxybenzo[c][1,8]phenanthroline?
The IUPAC name of 8,9-dimethoxybenzo[c][1,8]phenanthroline (CID 10424307) is 8,9-dimethoxybenzo[c][1,8]phenanthroline.
What is the SMILES notation for 8,9-dimethoxybenzo[c][1,8]phenanthroline?
The canonical SMILES for 8,9-dimethoxybenzo[c][1,8]phenanthroline is COc1cc2cnc3c4ccncc4ccc3c2cc1OC.
What is the InChIKey of 8,9-dimethoxybenzo[c][1,8]phenanthroline?
The InChIKey is DUVIXYRCCRMMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-21-16-7-12-10-20-18-13-5-6-19-9-11(13)3-4-14(18)15(12)8-17(16)22-2/h3-10H,1-2H3.
What are the key properties of 8,9-dimethoxybenzo[c][1,8]phenanthroline?
8,9-dimethoxybenzo[c][1,8]phenanthroline has a molecular weight of 290.32 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxybenzo[c][1,8]phenanthroline is sourced from PubChem (CID 10424307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).