4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline

C26H16N4O5 — CID 2179824

IUPAC4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline
SMILESO=[N+]([O-])c1cccc(Oc2ccc([N+](=O)[O-])cc2-c2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C26H16N4O5/c31-29(32)18-9-6-10-20(15-18)35-24-14-13-19(30(33)34)16-22(24)25-21-11-4-5-12-23(21)27-26(28-25)17-7-2-1-3-8-17/h1-16H
InChIKeyOSNAZGUJBJEACF-UHFFFAOYSA-N
MW464.44 g/mol
LogP6.57
Rot. Bonds6

About 4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline

4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline (PubChem CID 2179824) has the molecular formula C26H16N4O5 and a molecular weight of 464.44 g/mol. Its IUPAC name is 4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline.

Molecular Properties

Compound Name4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline
PubChem CID2179824
Molecular FormulaC26H16N4O5
Molecular Weight464.44 g/mol
Exact Mass464.11
IUPAC Name4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline
SMILESO=[N+]([O-])c1cccc(Oc2ccc([N+](=O)[O-])cc2-c2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C26H16N4O5/c31-29(32)18-9-6-10-20(15-18)35-24-14-13-19(30(33)34)16-22(24)25-21-11-4-5-12-23(21)27-26(28-25)17-7-2-1-3-8-17/h1-16H
InChIKeyOSNAZGUJBJEACF-UHFFFAOYSA-N
XLogP6.57
TPSA121.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.44
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(2,4-dinitrophenyl)-2-phenylquinazoline
CID 3744800
2-(4-methylphenyl)-6-nitro-4-phenylquinazoline
CID 102342967
3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline
CID 23988493
N-(2-methoxy-5-nitrophenyl)-2-phenylquinazolin-4-amine;hydrochloride
CID 2792400
4-(3-nitrophenoxy)-2-(trichloromethyl)quinazoline
CID 54769370
2-[3-[2-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155049877
3-nitro-N-(2-phenylquinazolin-4-yl)benzamide
CID 155524329
2-[3-(2,4-dinitrophenoxy)phenyl]-1,3-benzothiazole
CID 126255565
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
4-methyl-2-(4-nitrophenyl)quinazoline
CID 742061
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595

Frequently Asked Questions

What is the IUPAC name of 4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline?
The IUPAC name of 4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline (CID 2179824) is 4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline.
What is the SMILES notation for 4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline?
The canonical SMILES for 4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline is O=[N+]([O-])c1cccc(Oc2ccc([N+](=O)[O-])cc2-c2nc(-c3ccccc3)nc3ccccc23)c1.
What is the InChIKey of 4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline?
The InChIKey is OSNAZGUJBJEACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N4O5/c31-29(32)18-9-6-10-20(15-18)35-24-14-13-19(30(33)34)16-22(24)25-21-11-4-5-12-23(21)27-26(28-25)17-7-2-1-3-8-17/h1-16H.
What are the key properties of 4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline?
4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline has a molecular weight of 464.44 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline is sourced from PubChem (CID 2179824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).