4,5,6,7-tetraphenyl-1,10-phenanthroline

C36H24N2 — CID 165388681

IUPAC4,5,6,7-tetraphenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccnc3c2c(-c2ccccc2)c(-c2ccccc2)c2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C36H24N2/c1-5-13-25(14-6-1)29-21-23-37-35-33(29)31(27-17-9-3-10-18-27)32(28-19-11-4-12-20-28)34-30(22-24-38-36(34)35)26-15-7-2-8-16-26/h1-24H
InChIKeyYKPNWNDAKRXMGF-UHFFFAOYSA-N
MW484.60 g/mol
LogP9.45
Rot. Bonds4

About 4,5,6,7-tetraphenyl-1,10-phenanthroline

4,5,6,7-tetraphenyl-1,10-phenanthroline (PubChem CID 165388681) has the molecular formula C36H24N2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 4,5,6,7-tetraphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name4,5,6,7-tetraphenyl-1,10-phenanthroline
PubChem CID165388681
Molecular FormulaC36H24N2
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC Name4,5,6,7-tetraphenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccnc3c2c(-c2ccccc2)c(-c2ccccc2)c2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C36H24N2/c1-5-13-25(14-6-1)29-21-23-37-35-33(29)31(27-17-9-3-10-18-27)32(28-19-11-4-12-20-28)34-30(22-24-38-36(34)35)26-15-7-2-8-16-26/h1-24H
InChIKeyYKPNWNDAKRXMGF-UHFFFAOYSA-N
XLogP9.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5,6,7-tetraphenyl-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
CID 21087820
tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride
CID 173290116
4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride
CID 173105288
2,3,4,5-tetraphenyl-1,10-phenanthroline
CID 126713568
5,7-dichloro-4-phenylquinoline
CID 117062319
dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride
CID 173138363
1,2,3,4-tetraphenylbenzene;triazine
CID 175536377
(3,4-diphenyl-2-pyridinyl)hydrazine
CID 19842106
4-phenyl-1,8-naphthyridine
CID 21147452
3-[3-(4,7-diphenyl-1,10-phenanthrolin-3-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline
CID 146248672
4-chloro-7-phenyl-1,10-phenanthroline
CID 171832712
aluminum tris(4-phenylquinolin-8-olate)
CID 101048489

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetraphenyl-1,10-phenanthroline?
The IUPAC name of 4,5,6,7-tetraphenyl-1,10-phenanthroline (CID 165388681) is 4,5,6,7-tetraphenyl-1,10-phenanthroline.
What is the SMILES notation for 4,5,6,7-tetraphenyl-1,10-phenanthroline?
The canonical SMILES for 4,5,6,7-tetraphenyl-1,10-phenanthroline is c1ccc(-c2ccnc3c2c(-c2ccccc2)c(-c2ccccc2)c2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 4,5,6,7-tetraphenyl-1,10-phenanthroline?
The InChIKey is YKPNWNDAKRXMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2/c1-5-13-25(14-6-1)29-21-23-37-35-33(29)31(27-17-9-3-10-18-27)32(28-19-11-4-12-20-28)34-30(22-24-38-36(34)35)26-15-7-2-8-16-26/h1-24H.
What are the key properties of 4,5,6,7-tetraphenyl-1,10-phenanthroline?
4,5,6,7-tetraphenyl-1,10-phenanthroline has a molecular weight of 484.60 g/mol, XLogP of 9.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetraphenyl-1,10-phenanthroline is sourced from PubChem (CID 165388681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).