6-(4-nitrophenyl)benzo[a]phenazin-5-ol

C22H13N3O3 — CID 135439704

IUPAC6-(4-nitrophenyl)benzo[a]phenazin-5-ol
SMILESO=[N+]([O-])c1ccc(-c2c(O)c3ccccc3c3nc4ccccc4nc23)cc1
InChIInChI=1S/C22H13N3O3/c26-22-16-6-2-1-5-15(16)20-21(24-18-8-4-3-7-17(18)23-20)19(22)13-9-11-14(12-10-13)25(27)28/h1-12,26H
InChIKeyLAUIWXPZUXGMAL-UHFFFAOYSA-N
MW367.36 g/mol
LogP5.22
Rot. Bonds2

About 6-(4-nitrophenyl)benzo[a]phenazin-5-ol

6-(4-nitrophenyl)benzo[a]phenazin-5-ol (PubChem CID 135439704) has the molecular formula C22H13N3O3 and a molecular weight of 367.36 g/mol. Its IUPAC name is 6-(4-nitrophenyl)benzo[a]phenazin-5-ol.

Molecular Properties

Compound Name6-(4-nitrophenyl)benzo[a]phenazin-5-ol
PubChem CID135439704
Molecular FormulaC22H13N3O3
Molecular Weight367.36 g/mol
Exact Mass367.10
IUPAC Name6-(4-nitrophenyl)benzo[a]phenazin-5-ol
SMILESO=[N+]([O-])c1ccc(-c2c(O)c3ccccc3c3nc4ccccc4nc23)cc1
InChIInChI=1S/C22H13N3O3/c26-22-16-6-2-1-5-15(16)20-21(24-18-8-4-3-7-17(18)23-20)19(22)13-9-11-14(12-10-13)25(27)28/h1-12,26H
InChIKeyLAUIWXPZUXGMAL-UHFFFAOYSA-N
XLogP5.22
TPSA89.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.36
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-nitrophenyl)benzo[a]phenazin-5-ol?
The IUPAC name of 6-(4-nitrophenyl)benzo[a]phenazin-5-ol (CID 135439704) is 6-(4-nitrophenyl)benzo[a]phenazin-5-ol.
What is the SMILES notation for 6-(4-nitrophenyl)benzo[a]phenazin-5-ol?
The canonical SMILES for 6-(4-nitrophenyl)benzo[a]phenazin-5-ol is O=[N+]([O-])c1ccc(-c2c(O)c3ccccc3c3nc4ccccc4nc23)cc1.
What is the InChIKey of 6-(4-nitrophenyl)benzo[a]phenazin-5-ol?
The InChIKey is LAUIWXPZUXGMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N3O3/c26-22-16-6-2-1-5-15(16)20-21(24-18-8-4-3-7-17(18)23-20)19(22)13-9-11-14(12-10-13)25(27)28/h1-12,26H.
What are the key properties of 6-(4-nitrophenyl)benzo[a]phenazin-5-ol?
6-(4-nitrophenyl)benzo[a]phenazin-5-ol has a molecular weight of 367.36 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitrophenyl)benzo[a]phenazin-5-ol is sourced from PubChem (CID 135439704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).