2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline

C32H20N6 — CID 70909562

IUPAC2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline
SMILESc1cc(-c2cc(-c3ccncc3)c3ccc4c(-c5ccncc5)cc(-c5ccncc5)nc4c3n2)ccn1
InChIInChI=1S/C32H20N6/c1-2-26-28(22-5-13-34-14-6-22)20-30(24-9-17-36-18-10-24)38-32(26)31-25(1)27(21-3-11-33-12-4-21)19-29(37-31)23-7-15-35-16-8-23/h1-20H
InChIKeyIYJPNWFCUYSZSU-UHFFFAOYSA-N
MW488.55 g/mol
LogP7.03
Rot. Bonds4

About 2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline

2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline (PubChem CID 70909562) has the molecular formula C32H20N6 and a molecular weight of 488.55 g/mol. Its IUPAC name is 2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline
PubChem CID70909562
Molecular FormulaC32H20N6
Molecular Weight488.55 g/mol
Exact Mass488.17
IUPAC Name2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline
SMILESc1cc(-c2cc(-c3ccncc3)c3ccc4c(-c5ccncc5)cc(-c5ccncc5)nc4c3n2)ccn1
InChIInChI=1S/C32H20N6/c1-2-26-28(22-5-13-34-14-6-22)20-30(24-9-17-36-18-10-24)38-32(26)31-25(1)27(21-3-11-33-12-4-21)19-29(37-31)23-7-15-35-16-8-23/h1-20H
InChIKeyIYJPNWFCUYSZSU-UHFFFAOYSA-N
XLogP7.03
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
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
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
3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline
CID 58637294
4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline
CID 159526499
2,4,6-tripyridin-4-ylpyrimidine
CID 46317152
2,9-bis(4-benzhydrylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 58401132
2-methyl-9-phenyl-4-[4-[4-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-methyl-9-phenyl-4-[4-[4-(6-phenyl-2-pyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]-1,10-phenanthroline
CID 160808209
4,7-bis(4-tert-butylphenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909450

Frequently Asked Questions

What is the IUPAC name of 2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline?
The IUPAC name of 2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline (CID 70909562) is 2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline.
What is the SMILES notation for 2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline?
The canonical SMILES for 2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline is c1cc(-c2cc(-c3ccncc3)c3ccc4c(-c5ccncc5)cc(-c5ccncc5)nc4c3n2)ccn1.
What is the InChIKey of 2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline?
The InChIKey is IYJPNWFCUYSZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N6/c1-2-26-28(22-5-13-34-14-6-22)20-30(24-9-17-36-18-10-24)38-32(26)31-25(1)27(21-3-11-33-12-4-21)19-29(37-31)23-7-15-35-16-8-23/h1-20H.
What are the key properties of 2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline?
2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline has a molecular weight of 488.55 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7,9-tetrapyridin-4-yl-1,10-phenanthroline is sourced from PubChem (CID 70909562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).