4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol

C23H15N3O5 — CID 141380710

IUPAC4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc(O)cc3)cc(-c3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C23H15N3O5/c27-21-11-5-15(6-12-21)18-13-22(16-1-7-19(8-2-16)25(28)29)24-23(14-18)17-3-9-20(10-4-17)26(30)31/h1-14,27H
InChIKeyOLFATBAMVRCYMQ-UHFFFAOYSA-N
MW413.39 g/mol
LogP5.60
Rot. Bonds5

About 4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol

4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol (PubChem CID 141380710) has the molecular formula C23H15N3O5 and a molecular weight of 413.39 g/mol. Its IUPAC name is 4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol.

Molecular Properties

Compound Name4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol
PubChem CID141380710
Molecular FormulaC23H15N3O5
Molecular Weight413.39 g/mol
Exact Mass413.10
IUPAC Name4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc(O)cc3)cc(-c3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C23H15N3O5/c27-21-11-5-15(6-12-21)18-13-22(16-1-7-19(8-2-16)25(28)29)24-23(14-18)17-3-9-20(10-4-17)26(30)31/h1-14,27H
InChIKeyOLFATBAMVRCYMQ-UHFFFAOYSA-N
XLogP5.60
TPSA119.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.39
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol
CID 135409815
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine
CID 71623316
4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline
CID 19421082
4-nitrophenol
CID 88714583
4-nitrophenol;phosphane
CID 157153413
4-(2,6-diphenyl-4-pyridinyl)phenol
CID 4640455
calcium;hydride;4-nitrophenol
CID 173414286
4-nitro-1-oxidopyridin-1-ium;4-(4-nitrophenyl)phenol
CID 139089084
4-methylphenol;4-nitrophenol
CID 68529378
ethane;6-(4-nitrophenyl)pyridin-3-ol
CID 144843001
3-(4-nitrophenyl)phenol
CID 15743438

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol?
The IUPAC name of 4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol (CID 141380710) is 4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol.
What is the SMILES notation for 4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol?
The canonical SMILES for 4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol is O=[N+]([O-])c1ccc(-c2cc(-c3ccc(O)cc3)cc(-c3ccc([N+](=O)[O-])cc3)n2)cc1.
What is the InChIKey of 4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol?
The InChIKey is OLFATBAMVRCYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O5/c27-21-11-5-15(6-12-21)18-13-22(16-1-7-19(8-2-16)25(28)29)24-23(14-18)17-3-9-20(10-4-17)26(30)31/h1-14,27H.
What are the key properties of 4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol?
4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol has a molecular weight of 413.39 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol is sourced from PubChem (CID 141380710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).