2-phenyl-1H-naphtho[2,3-g]indazole-3,6,11-trione

C21H12N2O3 — CID 3126077

IUPAC2-phenyl-1H-naphtho[2,3-g]indazole-3,6,11-trione
SMILESO=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(-c3ccccc3)[nH]c21
InChIInChI=1S/C21H12N2O3/c24-19-13-8-4-5-9-14(13)20(25)17-15(19)10-11-16-18(17)22-23(21(16)26)12-6-2-1-3-7-12/h1-11,22H
InChIKeyXDJIQPKRIDXXSP-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.09
Rot. Bonds1

About 2-phenyl-1H-naphtho[2,3-g]indazole-3,6,11-trione

2-phenyl-1H-naphtho[2,3-g]indazole-3,6,11-trione (PubChem CID 3126077) has the molecular formula C21H12N2O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-phenyl-1H-naphtho[2,3-g]indazole-3,6,11-trione.

Molecular Properties

Compound Name2-phenyl-1H-naphtho[2,3-g]indazole-3,6,11-trione
PubChem CID3126077
Molecular FormulaC21H12N2O3
Molecular Weight340.34 g/mol
Exact Mass340.08
IUPAC Name2-phenyl-1H-naphtho[2,3-g]indazole-3,6,11-trione
SMILESO=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(-c3ccccc3)[nH]c21
InChIInChI=1S/C21H12N2O3/c24-19-13-8-4-5-9-14(13)20(25)17-15(19)10-11-16-18(17)22-23(21(16)26)12-6-2-1-3-7-12/h1-11,22H
InChIKeyXDJIQPKRIDXXSP-UHFFFAOYSA-N
XLogP3.09
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-naphtho[2,3-g]indazole-3,6,11-trione?
The IUPAC name of 2-phenyl-1H-naphtho[2,3-g]indazole-3,6,11-trione (CID 3126077) is 2-phenyl-1H-naphtho[2,3-g]indazole-3,6,11-trione.
What is the SMILES notation for 2-phenyl-1H-naphtho[2,3-g]indazole-3,6,11-trione?
The canonical SMILES for 2-phenyl-1H-naphtho[2,3-g]indazole-3,6,11-trione is O=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(-c3ccccc3)[nH]c21.
What is the InChIKey of 2-phenyl-1H-naphtho[2,3-g]indazole-3,6,11-trione?
The InChIKey is XDJIQPKRIDXXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O3/c24-19-13-8-4-5-9-14(13)20(25)17-15(19)10-11-16-18(17)22-23(21(16)26)12-6-2-1-3-7-12/h1-11,22H.
What are the key properties of 2-phenyl-1H-naphtho[2,3-g]indazole-3,6,11-trione?
2-phenyl-1H-naphtho[2,3-g]indazole-3,6,11-trione has a molecular weight of 340.34 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-naphtho[2,3-g]indazole-3,6,11-trione is sourced from PubChem (CID 3126077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).