16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one

C26H17N3O — CID 22184487

IUPAC16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one
SMILESO=C1Nc2ccccc2-n2c(-c3cccc(-c4ccccc4)c3)nc3cccc1c32
InChIInChI=1S/C26H17N3O/c30-26-20-12-7-14-22-24(20)29(23-15-5-4-13-21(23)28-26)25(27-22)19-11-6-10-18(16-19)17-8-2-1-3-9-17/h1-16H,(H,28,30)
InChIKeyGLDXMLNFTXQDRT-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.93
Rot. Bonds2

About 16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one

16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one (PubChem CID 22184487) has the molecular formula C26H17N3O and a molecular weight of 387.44 g/mol. Its IUPAC name is 16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one.

Molecular Properties

Compound Name16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one
PubChem CID22184487
Molecular FormulaC26H17N3O
Molecular Weight387.44 g/mol
Exact Mass387.14
IUPAC Name16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one
SMILESO=C1Nc2ccccc2-n2c(-c3cccc(-c4ccccc4)c3)nc3cccc1c32
InChIInChI=1S/C26H17N3O/c30-26-20-12-7-14-22-24(20)29(23-15-5-4-13-21(23)28-26)25(27-22)19-11-6-10-18(16-19)17-8-2-1-3-9-17/h1-16H,(H,28,30)
InChIKeyGLDXMLNFTXQDRT-UHFFFAOYSA-N
XLogP5.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one?
The IUPAC name of 16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one (CID 22184487) is 16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one.
What is the SMILES notation for 16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one?
The canonical SMILES for 16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one is O=C1Nc2ccccc2-n2c(-c3cccc(-c4ccccc4)c3)nc3cccc1c32.
What is the InChIKey of 16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one?
The InChIKey is GLDXMLNFTXQDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O/c30-26-20-12-7-14-22-24(20)29(23-15-5-4-13-21(23)28-26)25(27-22)19-11-6-10-18(16-19)17-8-2-1-3-9-17/h1-16H,(H,28,30).
What are the key properties of 16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one?
16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one has a molecular weight of 387.44 g/mol, XLogP of 5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one is sourced from PubChem (CID 22184487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).