2,9-bis(4-methoxyphenyl)-1,10-phenanthroline

C26H20N2O2 — CID 13185379

IUPAC2,9-bis(4-methoxyphenyl)-1,10-phenanthroline
SMILESCOc1ccc(-c2ccc3ccc4ccc(-c5ccc(OC)cc5)nc4c3n2)cc1
InChIInChI=1S/C26H20N2O2/c1-29-21-11-5-17(6-12-21)23-15-9-19-3-4-20-10-16-24(28-26(20)25(19)27-23)18-7-13-22(30-2)14-8-18/h3-16H,1-2H3
InChIKeyUCCSXBZGZACZAB-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.13
Rot. Bonds4

About 2,9-bis(4-methoxyphenyl)-1,10-phenanthroline

2,9-bis(4-methoxyphenyl)-1,10-phenanthroline (PubChem CID 13185379) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2,9-bis(4-methoxyphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis(4-methoxyphenyl)-1,10-phenanthroline
PubChem CID13185379
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name2,9-bis(4-methoxyphenyl)-1,10-phenanthroline
SMILESCOc1ccc(-c2ccc3ccc4ccc(-c5ccc(OC)cc5)nc4c3n2)cc1
InChIInChI=1S/C26H20N2O2/c1-29-21-11-5-17(6-12-21)23-15-9-19-3-4-20-10-16-24(28-26(20)25(19)27-23)18-7-13-22(30-2)14-8-18/h3-16H,1-2H3
InChIKeyUCCSXBZGZACZAB-UHFFFAOYSA-N
XLogP6.13
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.13
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 2,9-bis(4-methoxyphenyl)-1,10-phenanthroline?
The IUPAC name of 2,9-bis(4-methoxyphenyl)-1,10-phenanthroline (CID 13185379) is 2,9-bis(4-methoxyphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis(4-methoxyphenyl)-1,10-phenanthroline?
The canonical SMILES for 2,9-bis(4-methoxyphenyl)-1,10-phenanthroline is COc1ccc(-c2ccc3ccc4ccc(-c5ccc(OC)cc5)nc4c3n2)cc1.
What is the InChIKey of 2,9-bis(4-methoxyphenyl)-1,10-phenanthroline?
The InChIKey is UCCSXBZGZACZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-29-21-11-5-17(6-12-21)23-15-9-19-3-4-20-10-16-24(28-26(20)25(19)27-23)18-7-13-22(30-2)14-8-18/h3-16H,1-2H3.
What are the key properties of 2,9-bis(4-methoxyphenyl)-1,10-phenanthroline?
2,9-bis(4-methoxyphenyl)-1,10-phenanthroline has a molecular weight of 392.46 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(4-methoxyphenyl)-1,10-phenanthroline is sourced from PubChem (CID 13185379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).