1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene

C26H22O — CID 12653790

IUPAC1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene
SMILESC1=C2C(CCC1)C1(c3ccccc3)OC2(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H22O/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(27-25,20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-7,9,11-17,24H,8,10,18H2
InChIKeyPYNARGDGWFHLRM-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.94
Rot. Bonds2

About 1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene

1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene (PubChem CID 12653790) has the molecular formula C26H22O and a molecular weight of 350.46 g/mol. Its IUPAC name is 1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene
PubChem CID12653790
Molecular FormulaC26H22O
Molecular Weight350.46 g/mol
Exact Mass350.17
IUPAC Name1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene
SMILESC1=C2C(CCC1)C1(c3ccccc3)OC2(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H22O/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(27-25,20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-7,9,11-17,24H,8,10,18H2
InChIKeyPYNARGDGWFHLRM-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene?
The IUPAC name of 1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene (CID 12653790) is 1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene.
What is the SMILES notation for 1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene?
The canonical SMILES for 1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene is C1=C2C(CCC1)C1(c3ccccc3)OC2(c2ccccc2)c2ccccc21.
What is the InChIKey of 1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene?
The InChIKey is PYNARGDGWFHLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(27-25,20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-7,9,11-17,24H,8,10,18H2.
What are the key properties of 1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene?
1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene has a molecular weight of 350.46 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9-tetraene is sourced from PubChem (CID 12653790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).