3,4,5,6,10,11,12,14,16-nonadeuterio-15-(2,3,4,5-tetradeuterio-6-dibenzofuran-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

C34H20O2 — CID 177299074

IUPAC3,4,5,6,10,11,12,14,16-nonadeuterio-15-(2,3,4,5-tetradeuterio-6-dibenzofuran-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c([2H])c3c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4-c4cccc5oc6ccccc6c45)c([2H])c-2c13
InChIInChI=1S/C34H20O2/c1-2-11-24(26-14-8-18-32-34(26)27-13-4-6-16-30(27)36-32)23(10-1)22-19-21-9-7-17-31-33(21)28(20-22)25-12-3-5-15-29(25)35-31/h1-20H/i1D,2D,3D,5D,7D,9D,10D,11D,12D,15D,17D,19D,20D
InChIKeyIOKGELLKNDHIAF-HCNIJMSYSA-N
MW473.61 g/mol
LogP9.85
Rot. Bonds2

About 3,4,5,6,10,11,12,14,16-nonadeuterio-15-(2,3,4,5-tetradeuterio-6-dibenzofuran-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

3,4,5,6,10,11,12,14,16-nonadeuterio-15-(2,3,4,5-tetradeuterio-6-dibenzofuran-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (PubChem CID 177299074) has the molecular formula C34H20O2 and a molecular weight of 473.61 g/mol. Its IUPAC name is 3,4,5,6,10,11,12,14,16-nonadeuterio-15-(2,3,4,5-tetradeuterio-6-dibenzofuran-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.

Molecular Properties

Compound Name3,4,5,6,10,11,12,14,16-nonadeuterio-15-(2,3,4,5-tetradeuterio-6-dibenzofuran-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
PubChem CID177299074
Molecular FormulaC34H20O2
Molecular Weight473.61 g/mol
Exact Mass473.23
IUPAC Name3,4,5,6,10,11,12,14,16-nonadeuterio-15-(2,3,4,5-tetradeuterio-6-dibenzofuran-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c([2H])c3c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4-c4cccc5oc6ccccc6c45)c([2H])c-2c13
InChIInChI=1S/C34H20O2/c1-2-11-24(26-14-8-18-32-34(26)27-13-4-6-16-30(27)36-32)23(10-1)22-19-21-9-7-17-31-33(21)28(20-22)25-12-3-5-15-29(25)35-31/h1-20H/i1D,2D,3D,5D,7D,9D,10D,11D,12D,15D,17D,19D,20D
InChIKeyIOKGELLKNDHIAF-HCNIJMSYSA-N
XLogP9.85
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.61
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4,5,6,10,11,12,14,16-nonadeuterio-15-(2,3,4,5-tetradeuterio-6-dibenzofuran-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene with MolForge

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Related Compounds

1,2,3,4,5,6,8,9,10-nonadeuterio-7-[2,3,4,5-tetradeuterio-6-(3,4,5,6,10,11,12,14,16-nonadeuterio-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]naphtho[1,2-b][1]benzofuran
CID 177299053
3,5,6,10,11,12,14,15,16-nonadeuterio-4-(2-naphthalen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177298830
1-[10-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 170662723
1-[1,2,3,4,5,7,8-heptadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-6-phenylanthracen-9-yl]dibenzofuran
CID 171420789
8-[2,3,4,6,7,8-hexadeuterio-5-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-1-naphthalen-1-yldibenzofuran
CID 167407021
2-[2,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-dibenzofuran-1-ylphenyl)-1,3,5-triazine
CID 176767400
2,3,4-trideuterio-1-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 157221480
2-(3-dibenzofuran-1-ylphenyl)-4-[2,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 176767393
3,4,5,6,10,11,14,15,16-nonadeuterio-12-(2-naphthalen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177297840
1-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 164779699
4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
CID 159098046
2-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-4-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170941903

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,10,11,12,14,16-nonadeuterio-15-(2,3,4,5-tetradeuterio-6-dibenzofuran-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The IUPAC name of 3,4,5,6,10,11,12,14,16-nonadeuterio-15-(2,3,4,5-tetradeuterio-6-dibenzofuran-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (CID 177299074) is 3,4,5,6,10,11,12,14,16-nonadeuterio-15-(2,3,4,5-tetradeuterio-6-dibenzofuran-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.
What is the SMILES notation for 3,4,5,6,10,11,12,14,16-nonadeuterio-15-(2,3,4,5-tetradeuterio-6-dibenzofuran-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The canonical SMILES for 3,4,5,6,10,11,12,14,16-nonadeuterio-15-(2,3,4,5-tetradeuterio-6-dibenzofuran-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is [2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c([2H])c3c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4-c4cccc5oc6ccccc6c45)c([2H])c-2c13.
What is the InChIKey of 3,4,5,6,10,11,12,14,16-nonadeuterio-15-(2,3,4,5-tetradeuterio-6-dibenzofuran-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The InChIKey is IOKGELLKNDHIAF-HCNIJMSYSA-N. The full InChI is InChI=1S/C34H20O2/c1-2-11-24(26-14-8-18-32-34(26)27-13-4-6-16-30(27)36-32)23(10-1)22-19-21-9-7-17-31-33(21)28(20-22)25-12-3-5-15-29(25)35-31/h1-20H/i1D,2D,3D,5D,7D,9D,10D,11D,12D,15D,17D,19D,20D.
What are the key properties of 3,4,5,6,10,11,12,14,16-nonadeuterio-15-(2,3,4,5-tetradeuterio-6-dibenzofuran-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
3,4,5,6,10,11,12,14,16-nonadeuterio-15-(2,3,4,5-tetradeuterio-6-dibenzofuran-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene has a molecular weight of 473.61 g/mol, XLogP of 9.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,10,11,12,14,16-nonadeuterio-15-(2,3,4,5-tetradeuterio-6-dibenzofuran-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is sourced from PubChem (CID 177299074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).