4-nitro-2,3,5,6-tetraphenylphenol

C30H21NO3 — CID 118436800

IUPAC4-nitro-2,3,5,6-tetraphenylphenol
SMILESO=[N+]([O-])c1c(-c2ccccc2)c(-c2ccccc2)c(O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H21NO3/c32-30-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)29(31(33)34)26(22-15-7-2-8-16-22)28(30)24-19-11-4-12-20-24/h1-20,32H
InChIKeyLXHBFGJRPFCNTC-UHFFFAOYSA-N
MW443.50 g/mol
LogP7.97
Rot. Bonds5

About 4-nitro-2,3,5,6-tetraphenylphenol

4-nitro-2,3,5,6-tetraphenylphenol (PubChem CID 118436800) has the molecular formula C30H21NO3 and a molecular weight of 443.50 g/mol. Its IUPAC name is 4-nitro-2,3,5,6-tetraphenylphenol.

Molecular Properties

Compound Name4-nitro-2,3,5,6-tetraphenylphenol
PubChem CID118436800
Molecular FormulaC30H21NO3
Molecular Weight443.50 g/mol
Exact Mass443.15
IUPAC Name4-nitro-2,3,5,6-tetraphenylphenol
SMILESO=[N+]([O-])c1c(-c2ccccc2)c(-c2ccccc2)c(O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H21NO3/c32-30-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)29(31(33)34)26(22-15-7-2-8-16-22)28(30)24-19-11-4-12-20-24/h1-20,32H
InChIKeyLXHBFGJRPFCNTC-UHFFFAOYSA-N
XLogP7.97
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-Naphthalenol, 4-[2-(4-nitrophenyl)diazenyl]-
CID 79174
3-Hydroxy-1-nitropyrene
CID 104936
6-Hydroxy-1-nitropyrene
CID 104988
8-Hydroxy-1-nitropyrene
CID 105022
4-Nitro-1-naphthol
CID 343829
4-Nitro-2,6-diphenylphenol
CID 625985
2-(4-Nitro-benzyl)-naphthalen-1-ol
CID 44347691
1-Nitropyren-10-ol
CID 151869
10-Nitrosoanthracen-9-ol
CID 417151
1,1'-(3-Nitrobenzylidene)DI(2-naphthol)
CID 3637246
9-Hydroxy-1-nitropyrene
CID 130252
9,10-Anthraquinone-9-phenylhydrazone
CID 258350

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2,3,5,6-tetraphenylphenol?
The IUPAC name of 4-nitro-2,3,5,6-tetraphenylphenol (CID 118436800) is 4-nitro-2,3,5,6-tetraphenylphenol.
What is the SMILES notation for 4-nitro-2,3,5,6-tetraphenylphenol?
The canonical SMILES for 4-nitro-2,3,5,6-tetraphenylphenol is O=[N+]([O-])c1c(-c2ccccc2)c(-c2ccccc2)c(O)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-nitro-2,3,5,6-tetraphenylphenol?
The InChIKey is LXHBFGJRPFCNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO3/c32-30-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)29(31(33)34)26(22-15-7-2-8-16-22)28(30)24-19-11-4-12-20-24/h1-20,32H.
What are the key properties of 4-nitro-2,3,5,6-tetraphenylphenol?
4-nitro-2,3,5,6-tetraphenylphenol has a molecular weight of 443.50 g/mol, XLogP of 7.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2,3,5,6-tetraphenylphenol is sourced from PubChem (CID 118436800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).