2-phenanthridin-4-yl-1,2-diphenylethanone

C27H19NO — CID 102585096

IUPAC2-phenanthridin-4-yl-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(c1ccccc1)c1cccc2c1ncc1ccccc12
InChIInChI=1S/C27H19NO/c29-27(20-12-5-2-6-13-20)25(19-10-3-1-4-11-19)24-17-9-16-23-22-15-8-7-14-21(22)18-28-26(23)24/h1-18,25H
InChIKeyXRNOSWGQTBDDIS-UHFFFAOYSA-N
MW373.46 g/mol
LogP6.40
Rot. Bonds4

About 2-phenanthridin-4-yl-1,2-diphenylethanone

2-phenanthridin-4-yl-1,2-diphenylethanone (PubChem CID 102585096) has the molecular formula C27H19NO and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-phenanthridin-4-yl-1,2-diphenylethanone.

Molecular Properties

Compound Name2-phenanthridin-4-yl-1,2-diphenylethanone
PubChem CID102585096
Molecular FormulaC27H19NO
Molecular Weight373.46 g/mol
Exact Mass373.15
IUPAC Name2-phenanthridin-4-yl-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(c1ccccc1)c1cccc2c1ncc1ccccc12
InChIInChI=1S/C27H19NO/c29-27(20-12-5-2-6-13-20)25(19-10-3-1-4-11-19)24-17-9-16-23-22-15-8-7-14-21(22)18-28-26(23)24/h1-18,25H
InChIKeyXRNOSWGQTBDDIS-UHFFFAOYSA-N
XLogP6.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 56.40
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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Related Compounds

2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone
CID 10360372
1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone
CID 3391371
tri(phenanthridin-4-yloxy)alumane
CID 24943485
(NZ)-N-(2-naphthalen-1-yl-1,2-diphenylethylidene)hydroxylamine
CID 134924754
1,2-diphenyl-2-(2H-triazol-4-yl)ethanone
CID 70417346
2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone
CID 102314756
1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate
CID 69049532
N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide
CID 170422622
2-hydroxy-1,2-diphenylethanone
CID 159399559
(2R)-1-(4-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396295
N-[(8-sulfanylquinolin-3-yl)methyl]benzamide
CID 159965850
2-benzhydryl-1-phenylprop-2-en-1-one
CID 102189131

Frequently Asked Questions

What is the IUPAC name of 2-phenanthridin-4-yl-1,2-diphenylethanone?
The IUPAC name of 2-phenanthridin-4-yl-1,2-diphenylethanone (CID 102585096) is 2-phenanthridin-4-yl-1,2-diphenylethanone.
What is the SMILES notation for 2-phenanthridin-4-yl-1,2-diphenylethanone?
The canonical SMILES for 2-phenanthridin-4-yl-1,2-diphenylethanone is O=C(c1ccccc1)C(c1ccccc1)c1cccc2c1ncc1ccccc12.
What is the InChIKey of 2-phenanthridin-4-yl-1,2-diphenylethanone?
The InChIKey is XRNOSWGQTBDDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO/c29-27(20-12-5-2-6-13-20)25(19-10-3-1-4-11-19)24-17-9-16-23-22-15-8-7-14-21(22)18-28-26(23)24/h1-18,25H.
What are the key properties of 2-phenanthridin-4-yl-1,2-diphenylethanone?
2-phenanthridin-4-yl-1,2-diphenylethanone has a molecular weight of 373.46 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthridin-4-yl-1,2-diphenylethanone is sourced from PubChem (CID 102585096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).