4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine

C39H25N3 — CID 166685120

IUPAC4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccc4cc(-c5cc6ccccc6c6ccccc56)ccc4c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C39H25N3/c1-2-10-32-29(9-1)23-35(34-12-4-3-11-33(32)34)30-18-17-26-21-28(16-15-27(26)22-30)31-24-38(36-13-5-7-19-40-36)42-39(25-31)37-14-6-8-20-41-37/h1-25H
InChIKeyYQPHKJSCYDUNCW-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.00
Rot. Bonds4

About 4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine

4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine (PubChem CID 166685120) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine
PubChem CID166685120
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccc4cc(-c5cc6ccccc6c6ccccc56)ccc4c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C39H25N3/c1-2-10-32-29(9-1)23-35(34-12-4-3-11-33(32)34)30-18-17-26-21-28(16-15-27(26)22-30)31-24-38(36-13-5-7-19-40-36)42-39(25-31)37-14-6-8-20-41-37/h1-25H
InChIKeyYQPHKJSCYDUNCW-UHFFFAOYSA-N
XLogP10.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 510.00
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-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 166685007
4-[4-(12-phenylchrysen-6-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 155655346
8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665988
3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile
CID 162110199
4-[10-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-9-yl]-2,6-dipyridin-2-ylpyridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine;2,4,6-tripyridin-2-ylpyridine
CID 161380228
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 121460952
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
1-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 146185389
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714

Frequently Asked Questions

What is the IUPAC name of 4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine (CID 166685120) is 4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine is c1ccc(-c2cc(-c3ccc4cc(-c5cc6ccccc6c6ccccc56)ccc4c3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine?
The InChIKey is YQPHKJSCYDUNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-2-10-32-29(9-1)23-35(34-12-4-3-11-33(32)34)30-18-17-26-21-28(16-15-27(26)22-30)31-24-38(36-13-5-7-19-40-36)42-39(25-31)37-14-6-8-20-41-37/h1-25H.
What are the key properties of 4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine?
4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine has a molecular weight of 535.65 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 166685120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).