2-bromo-5-(2-methylphenyl)phenanthridin-6-one

C20H14BrNO — CID 146311346

IUPAC2-bromo-5-(2-methylphenyl)phenanthridin-6-one
SMILESCc1ccccc1-n1c(=O)c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C20H14BrNO/c1-13-6-2-5-9-18(13)22-19-11-10-14(21)12-17(19)15-7-3-4-8-16(15)20(22)23/h2-12H,1H3
InChIKeyJPHWBKJVCQQDGT-UHFFFAOYSA-N
MW364.24 g/mol
LogP5.21
Rot. Bonds1

About 2-bromo-5-(2-methylphenyl)phenanthridin-6-one

2-bromo-5-(2-methylphenyl)phenanthridin-6-one (PubChem CID 146311346) has the molecular formula C20H14BrNO and a molecular weight of 364.24 g/mol. Its IUPAC name is 2-bromo-5-(2-methylphenyl)phenanthridin-6-one.

Molecular Properties

Compound Name2-bromo-5-(2-methylphenyl)phenanthridin-6-one
PubChem CID146311346
Molecular FormulaC20H14BrNO
Molecular Weight364.24 g/mol
Exact Mass363.03
IUPAC Name2-bromo-5-(2-methylphenyl)phenanthridin-6-one
SMILESCc1ccccc1-n1c(=O)c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C20H14BrNO/c1-13-6-2-5-9-18(13)22-19-11-10-14(21)12-17(19)15-7-3-4-8-16(15)20(22)23/h2-12H,1H3
InChIKeyJPHWBKJVCQQDGT-UHFFFAOYSA-N
XLogP5.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.24
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methylphenyl)phenanthridin-6-one?
The IUPAC name of 2-bromo-5-(2-methylphenyl)phenanthridin-6-one (CID 146311346) is 2-bromo-5-(2-methylphenyl)phenanthridin-6-one.
What is the SMILES notation for 2-bromo-5-(2-methylphenyl)phenanthridin-6-one?
The canonical SMILES for 2-bromo-5-(2-methylphenyl)phenanthridin-6-one is Cc1ccccc1-n1c(=O)c2ccccc2c2cc(Br)ccc21.
What is the InChIKey of 2-bromo-5-(2-methylphenyl)phenanthridin-6-one?
The InChIKey is JPHWBKJVCQQDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO/c1-13-6-2-5-9-18(13)22-19-11-10-14(21)12-17(19)15-7-3-4-8-16(15)20(22)23/h2-12H,1H3.
What are the key properties of 2-bromo-5-(2-methylphenyl)phenanthridin-6-one?
2-bromo-5-(2-methylphenyl)phenanthridin-6-one has a molecular weight of 364.24 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methylphenyl)phenanthridin-6-one is sourced from PubChem (CID 146311346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).