(2Z)-2,3-diphenyl-8,11,14,17-tetraoxatricyclo[16.2.2.24,7]tetracosa-1(21),2,4,6,18(22),19,23-heptaene

C32H30O4 — CID 5380004

IUPAC(2Z)-2,3-diphenyl-8,11,14,17-tetraoxatricyclo[16.2.2.24,7]tetracosa-1(21),2,4,6,18(22),19,23-heptaene
SMILESc1ccc(/C2=C(\c3ccccc3)c3ccc(cc3)OCCOCCOCCOc3ccc2cc3)cc1
InChIInChI=1S/C32H30O4/c1-3-7-25(8-4-1)31-27-11-15-29(16-12-27)35-23-21-33-19-20-34-22-24-36-30-17-13-28(14-18-30)32(31)26-9-5-2-6-10-26/h1-18H,19-24H2/b32-31-
InChIKeyFJXAKBSPIHCEIX-MVJHLKBCSA-N
MW478.59 g/mol
LogP6.50
Rot. Bonds2

About (2Z)-2,3-diphenyl-8,11,14,17-tetraoxatricyclo[16.2.2.24,7]tetracosa-1(21),2,4,6,18(22),19,23-heptaene

(2Z)-2,3-diphenyl-8,11,14,17-tetraoxatricyclo[16.2.2.24,7]tetracosa-1(21),2,4,6,18(22),19,23-heptaene (PubChem CID 5380004) has the molecular formula C32H30O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is (2Z)-2,3-diphenyl-8,11,14,17-tetraoxatricyclo[16.2.2.24,7]tetracosa-1(21),2,4,6,18(22),19,23-heptaene.

Molecular Properties

Compound Name(2Z)-2,3-diphenyl-8,11,14,17-tetraoxatricyclo[16.2.2.24,7]tetracosa-1(21),2,4,6,18(22),19,23-heptaene
PubChem CID5380004
Molecular FormulaC32H30O4
Molecular Weight478.59 g/mol
Exact Mass478.21
IUPAC Name(2Z)-2,3-diphenyl-8,11,14,17-tetraoxatricyclo[16.2.2.24,7]tetracosa-1(21),2,4,6,18(22),19,23-heptaene
SMILESc1ccc(/C2=C(\c3ccccc3)c3ccc(cc3)OCCOCCOCCOc3ccc2cc3)cc1
InChIInChI=1S/C32H30O4/c1-3-7-25(8-4-1)31-27-11-15-29(16-12-27)35-23-21-33-19-20-34-22-24-36-30-17-13-28(14-18-30)32(31)26-9-5-2-6-10-26/h1-18H,19-24H2/b32-31-
InChIKeyFJXAKBSPIHCEIX-MVJHLKBCSA-N
XLogP6.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2,3-diphenyl-8,11,14,17-tetraoxatricyclo[16.2.2.24,7]tetracosa-1(21),2,4,6,18(22),19,23-heptaene?
The IUPAC name of (2Z)-2,3-diphenyl-8,11,14,17-tetraoxatricyclo[16.2.2.24,7]tetracosa-1(21),2,4,6,18(22),19,23-heptaene (CID 5380004) is (2Z)-2,3-diphenyl-8,11,14,17-tetraoxatricyclo[16.2.2.24,7]tetracosa-1(21),2,4,6,18(22),19,23-heptaene.
What is the SMILES notation for (2Z)-2,3-diphenyl-8,11,14,17-tetraoxatricyclo[16.2.2.24,7]tetracosa-1(21),2,4,6,18(22),19,23-heptaene?
The canonical SMILES for (2Z)-2,3-diphenyl-8,11,14,17-tetraoxatricyclo[16.2.2.24,7]tetracosa-1(21),2,4,6,18(22),19,23-heptaene is c1ccc(/C2=C(\c3ccccc3)c3ccc(cc3)OCCOCCOCCOc3ccc2cc3)cc1.
What is the InChIKey of (2Z)-2,3-diphenyl-8,11,14,17-tetraoxatricyclo[16.2.2.24,7]tetracosa-1(21),2,4,6,18(22),19,23-heptaene?
The InChIKey is FJXAKBSPIHCEIX-MVJHLKBCSA-N. The full InChI is InChI=1S/C32H30O4/c1-3-7-25(8-4-1)31-27-11-15-29(16-12-27)35-23-21-33-19-20-34-22-24-36-30-17-13-28(14-18-30)32(31)26-9-5-2-6-10-26/h1-18H,19-24H2/b32-31-.
What are the key properties of (2Z)-2,3-diphenyl-8,11,14,17-tetraoxatricyclo[16.2.2.24,7]tetracosa-1(21),2,4,6,18(22),19,23-heptaene?
(2Z)-2,3-diphenyl-8,11,14,17-tetraoxatricyclo[16.2.2.24,7]tetracosa-1(21),2,4,6,18(22),19,23-heptaene has a molecular weight of 478.59 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2,3-diphenyl-8,11,14,17-tetraoxatricyclo[16.2.2.24,7]tetracosa-1(21),2,4,6,18(22),19,23-heptaene is sourced from PubChem (CID 5380004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).