(1R,1'S,2S,3S,5'S,6R,7S,8R,9S)-1,9-diphenylspiro[16-oxapentacyclo[7.6.1.13,7.02,8.010,15]heptadeca-4,10,12,14-tetraene-6,6'-2-oxabicyclo[3.1.0]hex-3-ene]

C32H26O2 — CID 102597793

IUPAC(1R,1'S,2S,3S,5'S,6R,7S,8R,9S)-1,9-diphenylspiro[16-oxapentacyclo[7.6.1.13,7.02,8.010,15]heptadeca-4,10,12,14-tetraene-6,6'-2-oxabicyclo[3.1.0]hex-3-ene]
SMILESC1=C[C@@H]2[C@H](O1)[C@@]21C=C[C@@H]2C[C@H]1[C@@H]1[C@H]2[C@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12
InChIInChI=1S/C32H26O2/c1-3-9-21(10-4-1)31-23-13-7-8-14-24(23)32(34-31,22-11-5-2-6-12-22)28-26-19-20(27(28)31)15-17-30(26)25-16-18-33-29(25)30/h1-18,20,25-29H,19H2/t20-,25-,26+,27+,28-,29+,30+,31-,32+/m1/s1
InChIKeyLPDGKHWSEFJFAC-CVPXOVGGSA-N
MW442.56 g/mol
LogP6.18
Rot. Bonds2

About (1R,1'S,2S,3S,5'S,6R,7S,8R,9S)-1,9-diphenylspiro[16-oxapentacyclo[7.6.1.13,7.02,8.010,15]heptadeca-4,10,12,14-tetraene-6,6'-2-oxabicyclo[3.1.0]hex-3-ene]

(1R,1'S,2S,3S,5'S,6R,7S,8R,9S)-1,9-diphenylspiro[16-oxapentacyclo[7.6.1.13,7.02,8.010,15]heptadeca-4,10,12,14-tetraene-6,6'-2-oxabicyclo[3.1.0]hex-3-ene] (PubChem CID 102597793) has the molecular formula C32H26O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is (1R,1'S,2S,3S,5'S,6R,7S,8R,9S)-1,9-diphenylspiro[16-oxapentacyclo[7.6.1.13,7.02,8.010,15]heptadeca-4,10,12,14-tetraene-6,6'-2-oxabicyclo[3.1.0]hex-3-ene].

Molecular Properties

Compound Name(1R,1'S,2S,3S,5'S,6R,7S,8R,9S)-1,9-diphenylspiro[16-oxapentacyclo[7.6.1.13,7.02,8.010,15]heptadeca-4,10,12,14-tetraene-6,6'-2-oxabicyclo[3.1.0]hex-3-ene]
PubChem CID102597793
Molecular FormulaC32H26O2
Molecular Weight442.56 g/mol
Exact Mass442.19
IUPAC Name(1R,1'S,2S,3S,5'S,6R,7S,8R,9S)-1,9-diphenylspiro[16-oxapentacyclo[7.6.1.13,7.02,8.010,15]heptadeca-4,10,12,14-tetraene-6,6'-2-oxabicyclo[3.1.0]hex-3-ene]
SMILESC1=C[C@@H]2[C@H](O1)[C@@]21C=C[C@@H]2C[C@H]1[C@@H]1[C@H]2[C@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12
InChIInChI=1S/C32H26O2/c1-3-9-21(10-4-1)31-23-13-7-8-14-24(23)32(34-31,22-11-5-2-6-12-22)28-26-19-20(27(28)31)15-17-30(26)25-16-18-33-29(25)30/h1-18,20,25-29H,19H2/t20-,25-,26+,27+,28-,29+,30+,31-,32+/m1/s1
InChIKeyLPDGKHWSEFJFAC-CVPXOVGGSA-N
XLogP6.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,1'S,2S,3S,5'S,6R,7S,8R,9S)-1,9-diphenylspiro[16-oxapentacyclo[7.6.1.13,7.02,8.010,15]heptadeca-4,10,12,14-tetraene-6,6'-2-oxabicyclo[3.1.0]hex-3-ene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,1'S,2S,3S,5'S,6R,7S,8R,9S)-1,9-diphenylspiro[16-oxapentacyclo[7.6.1.13,7.02,8.010,15]heptadeca-4,10,12,14-tetraene-6,6'-2-oxabicyclo[3.1.0]hex-3-ene]?
The IUPAC name of (1R,1'S,2S,3S,5'S,6R,7S,8R,9S)-1,9-diphenylspiro[16-oxapentacyclo[7.6.1.13,7.02,8.010,15]heptadeca-4,10,12,14-tetraene-6,6'-2-oxabicyclo[3.1.0]hex-3-ene] (CID 102597793) is (1R,1'S,2S,3S,5'S,6R,7S,8R,9S)-1,9-diphenylspiro[16-oxapentacyclo[7.6.1.13,7.02,8.010,15]heptadeca-4,10,12,14-tetraene-6,6'-2-oxabicyclo[3.1.0]hex-3-ene].
What is the SMILES notation for (1R,1'S,2S,3S,5'S,6R,7S,8R,9S)-1,9-diphenylspiro[16-oxapentacyclo[7.6.1.13,7.02,8.010,15]heptadeca-4,10,12,14-tetraene-6,6'-2-oxabicyclo[3.1.0]hex-3-ene]?
The canonical SMILES for (1R,1'S,2S,3S,5'S,6R,7S,8R,9S)-1,9-diphenylspiro[16-oxapentacyclo[7.6.1.13,7.02,8.010,15]heptadeca-4,10,12,14-tetraene-6,6'-2-oxabicyclo[3.1.0]hex-3-ene] is C1=C[C@@H]2[C@H](O1)[C@@]21C=C[C@@H]2C[C@H]1[C@@H]1[C@H]2[C@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12.
What is the InChIKey of (1R,1'S,2S,3S,5'S,6R,7S,8R,9S)-1,9-diphenylspiro[16-oxapentacyclo[7.6.1.13,7.02,8.010,15]heptadeca-4,10,12,14-tetraene-6,6'-2-oxabicyclo[3.1.0]hex-3-ene]?
The InChIKey is LPDGKHWSEFJFAC-CVPXOVGGSA-N. The full InChI is InChI=1S/C32H26O2/c1-3-9-21(10-4-1)31-23-13-7-8-14-24(23)32(34-31,22-11-5-2-6-12-22)28-26-19-20(27(28)31)15-17-30(26)25-16-18-33-29(25)30/h1-18,20,25-29H,19H2/t20-,25-,26+,27+,28-,29+,30+,31-,32+/m1/s1.
What are the key properties of (1R,1'S,2S,3S,5'S,6R,7S,8R,9S)-1,9-diphenylspiro[16-oxapentacyclo[7.6.1.13,7.02,8.010,15]heptadeca-4,10,12,14-tetraene-6,6'-2-oxabicyclo[3.1.0]hex-3-ene]?
(1R,1'S,2S,3S,5'S,6R,7S,8R,9S)-1,9-diphenylspiro[16-oxapentacyclo[7.6.1.13,7.02,8.010,15]heptadeca-4,10,12,14-tetraene-6,6'-2-oxabicyclo[3.1.0]hex-3-ene] has a molecular weight of 442.56 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,1'S,2S,3S,5'S,6R,7S,8R,9S)-1,9-diphenylspiro[16-oxapentacyclo[7.6.1.13,7.02,8.010,15]heptadeca-4,10,12,14-tetraene-6,6'-2-oxabicyclo[3.1.0]hex-3-ene] is sourced from PubChem (CID 102597793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).