5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline

C24H14N4 — CID 15543464

IUPAC5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline
SMILESc1cnc2c(c1)cc(-c1cc3cccnc3c3ncccc13)c1cccnc12
InChIInChI=1S/C24H14N4/c1-5-15-13-19(17-7-3-11-27-23(17)21(15)25-9-1)20-14-16-6-2-10-26-22(16)24-18(20)8-4-12-28-24/h1-14H
InChIKeyMBMOTAGBXPKECR-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.55
Rot. Bonds1

About 5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline

5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline (PubChem CID 15543464) has the molecular formula C24H14N4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline
PubChem CID15543464
Molecular FormulaC24H14N4
Molecular Weight358.40 g/mol
Exact Mass358.12
IUPAC Name5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline
SMILESc1cnc2c(c1)cc(-c1cc3cccnc3c3ncccc13)c1cccnc12
InChIInChI=1S/C24H14N4/c1-5-15-13-19(17-7-3-11-27-23(17)21(15)25-9-1)20-14-16-6-2-10-26-22(16)24-18(20)8-4-12-28-24/h1-14H
InChIKeyMBMOTAGBXPKECR-UHFFFAOYSA-N
XLogP5.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.55
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 5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline?
The IUPAC name of 5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline (CID 15543464) is 5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline.
What is the SMILES notation for 5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline?
The canonical SMILES for 5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline is c1cnc2c(c1)cc(-c1cc3cccnc3c3ncccc13)c1cccnc12.
What is the InChIKey of 5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline?
The InChIKey is MBMOTAGBXPKECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4/c1-5-15-13-19(17-7-3-11-27-23(17)21(15)25-9-1)20-14-16-6-2-10-26-22(16)24-18(20)8-4-12-28-24/h1-14H.
What are the key properties of 5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline?
5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline has a molecular weight of 358.40 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,10-phenanthrolin-5-yl)-1,10-phenanthroline is sourced from PubChem (CID 15543464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).