4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine

C41H27N3 — CID 166685143

IUPAC4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine
SMILESc1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)c(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c1
InChIInChI=1S/C41H27N3/c1-2-9-35-32(7-1)25-39(38-12-6-5-11-37(35)38)29-15-13-28(14-16-29)34-8-3-4-10-36(34)33-26-40(30-17-21-42-22-18-30)44-41(27-33)31-19-23-43-24-20-31/h1-27H
InChIKeyVJHXXHZDMGXRBD-UHFFFAOYSA-N
MW561.69 g/mol
LogP10.51
Rot. Bonds5

About 4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine

4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine (PubChem CID 166685143) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine.

Molecular Properties

Compound Name4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine
PubChem CID166685143
Molecular FormulaC41H27N3
Molecular Weight561.69 g/mol
Exact Mass561.22
IUPAC Name4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine
SMILESc1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)c(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c1
InChIInChI=1S/C41H27N3/c1-2-9-35-32(7-1)25-39(38-12-6-5-11-37(35)38)29-15-13-28(14-16-29)34-8-3-4-10-36(34)33-26-40(30-17-21-42-22-18-30)44-41(27-33)31-19-23-43-24-20-31/h1-27H
InChIKeyVJHXXHZDMGXRBD-UHFFFAOYSA-N
XLogP10.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine
CID 59428688
2,6-di(phenanthren-9-yl)-4-pyridin-4-ylbenzo[h]quinoline;2,6-di(phenanthren-9-yl)-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline
CID 157088879
2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine
CID 176622498
6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline
CID 147418252
2-phenanthren-9-yl-9-pyridin-4-yl-1,10-phenanthroline
CID 145129513
4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 166685007
2-[6-phenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine
CID 89177944
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 160517437
4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,6-di(phenanthren-9-yl)benzo[h]quinoline
CID 89016586
9-(4-iodophenyl)phenanthrene
CID 89083753
2-(3-naphthalen-1-ylphenyl)-4-(4-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477588

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine?
The IUPAC name of 4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine (CID 166685143) is 4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine.
What is the SMILES notation for 4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine?
The canonical SMILES for 4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine is c1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)c(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c1.
What is the InChIKey of 4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine?
The InChIKey is VJHXXHZDMGXRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-2-9-35-32(7-1)25-39(38-12-6-5-11-37(35)38)29-15-13-28(14-16-29)34-8-3-4-10-36(34)33-26-40(30-17-21-42-22-18-30)44-41(27-33)31-19-23-43-24-20-31/h1-27H.
What are the key properties of 4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine?
4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine has a molecular weight of 561.69 g/mol, XLogP of 10.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine is sourced from PubChem (CID 166685143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).