2,4,7,9-tetraphenyl-1,10-phenanthroline

C36H24N2 — CID 15567799

IUPAC2,4,7,9-tetraphenyl-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccccc5)nc4c3n2)cc1
InChIInChI=1S/C36H24N2/c1-5-13-25(14-6-1)31-23-33(27-17-9-3-10-18-27)37-35-29(31)21-22-30-32(26-15-7-2-8-16-26)24-34(38-36(30)35)28-19-11-4-12-20-28/h1-24H
InChIKeyKTSGGWMVDAECFK-UHFFFAOYSA-N
MW484.60 g/mol
LogP9.45
Rot. Bonds4

About 2,4,7,9-tetraphenyl-1,10-phenanthroline

2,4,7,9-tetraphenyl-1,10-phenanthroline (PubChem CID 15567799) has the molecular formula C36H24N2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2,4,7,9-tetraphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2,4,7,9-tetraphenyl-1,10-phenanthroline
PubChem CID15567799
Molecular FormulaC36H24N2
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC Name2,4,7,9-tetraphenyl-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccccc5)nc4c3n2)cc1
InChIInChI=1S/C36H24N2/c1-5-13-25(14-6-1)31-23-33(27-17-9-3-10-18-27)37-35-29(31)21-22-30-32(26-15-7-2-8-16-26)24-34(38-36(30)35)28-19-11-4-12-20-28/h1-24H
InChIKeyKTSGGWMVDAECFK-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'}

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Related Compounds

9-[4-(7,9-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-2,4-diphenyl-1,10-phenanthroline
CID 59736484
2-methyl-4,7,9-triphenyl-1,10-phenanthroline
CID 58704555
2,9-bis(4-benzhydrylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 58401132
4,7-dinaphthalen-2-yl-2,9-diphenyl-1,10-phenanthroline
CID 70909440
4,7-bis(4-tert-butylphenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909450
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
4,7-bis(4-phenylphenyl)-2,9-bis(4-phenylsulfanylphenyl)-1,10-phenanthroline
CID 70909553
2,9-bis(4-phenylphenyl)-4,7-bis(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 68745888
4,7-diphenyl-2,9-bis(3,4,5-trimethylphenyl)-1,10-phenanthroline
CID 22972089
4-[7-(4-cyanophenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthrolin-4-yl]benzonitrile
CID 70909439
2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline
CID 58049706
2,9-diphenyl-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 168818398

Frequently Asked Questions

What is the IUPAC name of 2,4,7,9-tetraphenyl-1,10-phenanthroline?
The IUPAC name of 2,4,7,9-tetraphenyl-1,10-phenanthroline (CID 15567799) is 2,4,7,9-tetraphenyl-1,10-phenanthroline.
What is the SMILES notation for 2,4,7,9-tetraphenyl-1,10-phenanthroline?
The canonical SMILES for 2,4,7,9-tetraphenyl-1,10-phenanthroline is c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccccc5)nc4c3n2)cc1.
What is the InChIKey of 2,4,7,9-tetraphenyl-1,10-phenanthroline?
The InChIKey is KTSGGWMVDAECFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2/c1-5-13-25(14-6-1)31-23-33(27-17-9-3-10-18-27)37-35-29(31)21-22-30-32(26-15-7-2-8-16-26)24-34(38-36(30)35)28-19-11-4-12-20-28/h1-24H.
What are the key properties of 2,4,7,9-tetraphenyl-1,10-phenanthroline?
2,4,7,9-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 2,4,7,9-tetraphenyl-1,10-phenanthroline is sourced from PubChem (CID 15567799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).