4-phenyl-[1,3,5]triazino[1,2-f]phenanthridin-2-one

C21H13N3O — CID 171448220

IUPAC4-phenyl-[1,3,5]triazino[1,2-f]phenanthridin-2-one
SMILESO=c1nc(-c2ccccc2)n2c3ccccc3c3ccccc3c2n1
InChIInChI=1S/C21H13N3O/c25-21-22-19(14-8-2-1-3-9-14)24-18-13-7-6-11-16(18)15-10-4-5-12-17(15)20(24)23-21/h1-13H
InChIKeyAOFOPFSIYWFUAF-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.06
Rot. Bonds1

About 4-phenyl-[1,3,5]triazino[1,2-f]phenanthridin-2-one

4-phenyl-[1,3,5]triazino[1,2-f]phenanthridin-2-one (PubChem CID 171448220) has the molecular formula C21H13N3O and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-phenyl-[1,3,5]triazino[1,2-f]phenanthridin-2-one.

Molecular Properties

Compound Name4-phenyl-[1,3,5]triazino[1,2-f]phenanthridin-2-one
PubChem CID171448220
Molecular FormulaC21H13N3O
Molecular Weight323.36 g/mol
Exact Mass323.11
IUPAC Name4-phenyl-[1,3,5]triazino[1,2-f]phenanthridin-2-one
SMILESO=c1nc(-c2ccccc2)n2c3ccccc3c3ccccc3c2n1
InChIInChI=1S/C21H13N3O/c25-21-22-19(14-8-2-1-3-9-14)24-18-13-7-6-11-16(18)15-10-4-5-12-17(15)20(24)23-21/h1-13H
InChIKeyAOFOPFSIYWFUAF-UHFFFAOYSA-N
XLogP4.06
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylquinazolino[1,2-c]quinazolin-13-one
CID 171448072
17,19-diphenyl-14,16,22-triazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(22),2,4,6,8,10,12,15(20),16,18-decaen-21-one
CID 171448195
9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene
CID 122427077
6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one
CID 171448156
18-(3-triphenylen-2-ylphenyl)-14,22-diazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(22),2,4,6,8,10,12,15(20),16,18-decaen-21-one
CID 171448110
4-phenyl-3-(3-triphenylen-2-ylphenyl)pyrimido[1,2-f]phenanthridin-2-one
CID 171448112
6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103
6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894944
14-methyl-11-phenyl-3,10,12,14-tetrazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-21-one
CID 4910195
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,5,15-triazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,15,17,19,21,23,25,27-tridecaene
CID 118331087
22-(3-phenylphenyl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 135212575
10-methyl-2,3-diphenylimidazo[1,2-f]phenanthridine
CID 132577859

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-[1,3,5]triazino[1,2-f]phenanthridin-2-one?
The IUPAC name of 4-phenyl-[1,3,5]triazino[1,2-f]phenanthridin-2-one (CID 171448220) is 4-phenyl-[1,3,5]triazino[1,2-f]phenanthridin-2-one.
What is the SMILES notation for 4-phenyl-[1,3,5]triazino[1,2-f]phenanthridin-2-one?
The canonical SMILES for 4-phenyl-[1,3,5]triazino[1,2-f]phenanthridin-2-one is O=c1nc(-c2ccccc2)n2c3ccccc3c3ccccc3c2n1.
What is the InChIKey of 4-phenyl-[1,3,5]triazino[1,2-f]phenanthridin-2-one?
The InChIKey is AOFOPFSIYWFUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O/c25-21-22-19(14-8-2-1-3-9-14)24-18-13-7-6-11-16(18)15-10-4-5-12-17(15)20(24)23-21/h1-13H.
What are the key properties of 4-phenyl-[1,3,5]triazino[1,2-f]phenanthridin-2-one?
4-phenyl-[1,3,5]triazino[1,2-f]phenanthridin-2-one has a molecular weight of 323.36 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-[1,3,5]triazino[1,2-f]phenanthridin-2-one is sourced from PubChem (CID 171448220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).