4,7-Diphenyl-1,10-phenanthroline

C24H16N2 — CID 72812

IUPAC4,7-diphenyl-1,10-phenanthroline
SMILESC1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5
InChIInChI=1S/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H
InChIKeyDHDHJYNTEFLIHY-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.70
Rot. Bonds2

About 4,7-Diphenyl-1,10-phenanthroline

4,7-Diphenyl-1,10-phenanthroline (PubChem CID 72812) has the molecular formula C24H16N2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4,7-diphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-Diphenyl-1,10-phenanthroline
PubChem CID72812
Molecular FormulaC24H16N2
Molecular Weight332.40 g/mol
Exact Mass332.13
IUPAC Name4,7-diphenyl-1,10-phenanthroline
SMILESC1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5
InChIInChI=1S/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H
InChIKeyDHDHJYNTEFLIHY-UHFFFAOYSA-N
XLogP5.70
TPSA25.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity409

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,10-Phenanthroline
CID 1318
5-Methylquinoxaline
CID 61670
2,9-Dimethyl-1,10-phenanthroline
CID 65237
Bathocuproine
CID 65149
1,10-Phenanthroline hydrate
CID 21226
5-Methyl-1,10-phenanthroline
CID 72791
4,7-Dimethyl-1,10-phenanthroline
CID 72792
3,4,7,8-Tetramethyl-1,10-phenanthroline
CID 74265
4-Methyl-1,10-phenanthroline
CID 93149
4,7-Phenanthroline
CID 67472
8-Aminoquinoline
CID 11359
5,6-Dimethyl-1,10-phenanthroline
CID 76357

Frequently Asked Questions

What is the IUPAC name of 4,7-Diphenyl-1,10-phenanthroline?
The IUPAC name of 4,7-Diphenyl-1,10-phenanthroline (CID 72812) is 4,7-diphenyl-1,10-phenanthroline.
What is the SMILES notation for 4,7-Diphenyl-1,10-phenanthroline?
The canonical SMILES for 4,7-Diphenyl-1,10-phenanthroline is C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.
What is the InChIKey of 4,7-Diphenyl-1,10-phenanthroline?
The InChIKey is DHDHJYNTEFLIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H.
What are the key properties of 4,7-Diphenyl-1,10-phenanthroline?
4,7-Diphenyl-1,10-phenanthroline has a molecular weight of 332.40 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-Diphenyl-1,10-phenanthroline is sourced from PubChem (CID 72812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).