2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine

C41H26N4O9 — CID 71623316

IUPAC2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(-c3cc(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)nc(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C41H26N4O9/c46-43(47)31-7-19-37(20-8-31)52-34-13-1-27(2-14-34)30-25-40(28-3-15-35(16-4-28)53-38-21-9-32(10-22-38)44(48)49)42-41(26-30)29-5-17-36(18-6-29)54-39-23-11-33(12-24-39)45(50)51/h1-26H
InChIKeyRYOFVUZLJIPMCE-UHFFFAOYSA-N
MW718.68 g/mol
LogP11.18
Rot. Bonds12

About 2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine

2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine (PubChem CID 71623316) has the molecular formula C41H26N4O9 and a molecular weight of 718.68 g/mol. Its IUPAC name is 2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine.

Molecular Properties

Compound Name2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine
PubChem CID71623316
Molecular FormulaC41H26N4O9
Molecular Weight718.68 g/mol
Exact Mass718.17
IUPAC Name2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(-c3cc(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)nc(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C41H26N4O9/c46-43(47)31-7-19-37(20-8-31)52-34-13-1-27(2-14-34)30-25-40(28-3-15-35(16-4-28)53-38-21-9-32(10-22-38)44(48)49)42-41(26-30)29-5-17-36(18-6-29)54-39-23-11-33(12-24-39)45(50)51/h1-26H
InChIKeyRYOFVUZLJIPMCE-UHFFFAOYSA-N
XLogP11.18
TPSA170.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.68
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol
CID 141380710
4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline
CID 19421082
2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
CID 141380203
4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol
CID 135409815
4-[4-[4-[4-(2,6-diphenyl-4-pyridinyl)phenoxy]phenoxy]phenyl]-2,6-diphenylpyridine
CID 58692915
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
1-(4-nitrophenoxy)-4-[2-[4-(4-nitrophenoxy)phenyl]ethyl]benzene
CID 139816663
4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile
CID 20537539
6-chloro-4-[4-(4-nitrophenoxy)phenyl]-1H-1,3,5-triazin-2-one
CID 135632034
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine?
The IUPAC name of 2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine (CID 71623316) is 2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine.
What is the SMILES notation for 2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine?
The canonical SMILES for 2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine is O=[N+]([O-])c1ccc(Oc2ccc(-c3cc(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)nc(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)c3)cc2)cc1.
What is the InChIKey of 2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine?
The InChIKey is RYOFVUZLJIPMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4O9/c46-43(47)31-7-19-37(20-8-31)52-34-13-1-27(2-14-34)30-25-40(28-3-15-35(16-4-28)53-38-21-9-32(10-22-38)44(48)49)42-41(26-30)29-5-17-36(18-6-29)54-39-23-11-33(12-24-39)45(50)51/h1-26H.
What are the key properties of 2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine?
2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine has a molecular weight of 718.68 g/mol, XLogP of 11.18, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine is sourced from PubChem (CID 71623316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).