1,8-diphenyl-15-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene

C27H24O — CID 3757880

IUPAC1,8-diphenyl-15-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene
SMILESc1ccc(C23OC(c4ccccc4)(c4ccccc42)C2C4CCC(C4)C23)cc1
InChIInChI=1S/C27H24O/c1-3-9-20(10-4-1)26-22-13-7-8-14-23(22)27(28-26,21-11-5-2-6-12-21)25-19-16-15-18(17-19)24(25)26/h1-14,18-19,24-25H,15-17H2
InChIKeyZJASUCXIHJNLQW-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.88
Rot. Bonds2

About 1,8-diphenyl-15-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene

1,8-diphenyl-15-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene (PubChem CID 3757880) has the molecular formula C27H24O and a molecular weight of 364.49 g/mol. Its IUPAC name is 1,8-diphenyl-15-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene.

Molecular Properties

Compound Name1,8-diphenyl-15-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene
PubChem CID3757880
Molecular FormulaC27H24O
Molecular Weight364.49 g/mol
Exact Mass364.18
IUPAC Name1,8-diphenyl-15-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene
SMILESc1ccc(C23OC(c4ccccc4)(c4ccccc42)C2C4CCC(C4)C23)cc1
InChIInChI=1S/C27H24O/c1-3-9-20(10-4-1)26-22-13-7-8-14-23(22)27(28-26,21-11-5-2-6-12-21)25-19-16-15-18(17-19)24(25)26/h1-14,18-19,24-25H,15-17H2
InChIKeyZJASUCXIHJNLQW-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,8-diphenyl-15-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene?
The IUPAC name of 1,8-diphenyl-15-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene (CID 3757880) is 1,8-diphenyl-15-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene.
What is the SMILES notation for 1,8-diphenyl-15-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene?
The canonical SMILES for 1,8-diphenyl-15-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene is c1ccc(C23OC(c4ccccc4)(c4ccccc42)C2C4CCC(C4)C23)cc1.
What is the InChIKey of 1,8-diphenyl-15-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene?
The InChIKey is ZJASUCXIHJNLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O/c1-3-9-20(10-4-1)26-22-13-7-8-14-23(22)27(28-26,21-11-5-2-6-12-21)25-19-16-15-18(17-19)24(25)26/h1-14,18-19,24-25H,15-17H2.
What are the key properties of 1,8-diphenyl-15-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene?
1,8-diphenyl-15-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene has a molecular weight of 364.49 g/mol, XLogP of 5.88, 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-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-9,11,13-triene is sourced from PubChem (CID 3757880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).