7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran

C34H20O2 — CID 176743196

IUPAC7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3cccc4c3oc3ccc5ccoc5c34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H]
InChIInChI=1S/C34H20O2/c1-2-9-21(10-3-1)30-23-11-4-6-13-25(23)31(26-14-7-5-12-24(26)30)27-15-8-16-28-32-29(36-34(27)28)18-17-22-19-20-35-33(22)32/h1-20H/i4D,5D,6D,7D,11D,12D,13D,14D
InChIKeyDHQDOWDKJMMUEO-KGMSOBSMSA-N
MW468.58 g/mol
LogP9.97
Rot. Bonds2

About 7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran

7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran (PubChem CID 176743196) has the molecular formula C34H20O2 and a molecular weight of 468.58 g/mol. Its IUPAC name is 7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran.

Molecular Properties

Compound Name7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
PubChem CID176743196
Molecular FormulaC34H20O2
Molecular Weight468.58 g/mol
Exact Mass468.20
IUPAC Name7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3cccc4c3oc3ccc5ccoc5c34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H]
InChIInChI=1S/C34H20O2/c1-2-9-21(10-3-1)30-23-11-4-6-13-25(23)31(26-14-7-5-12-24(26)30)27-15-8-16-28-32-29(36-34(27)28)18-17-22-19-20-35-33(22)32/h1-20H/i4D,5D,6D,7D,11D,12D,13D,14D
InChIKeyDHQDOWDKJMMUEO-KGMSOBSMSA-N
XLogP9.97
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
CID 176745766
1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 176786272
1,2,3,4-tetradeuterio-8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 176841146
9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 176744574
10-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 171421116
9-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran
CID 176745196
6-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[7,6-b][1]benzofuran
CID 176745258
1,2,3,4-tetradeuterio-6-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 176786276
6-naphthalen-2-yl-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 165169697
6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[4,5-b][1]benzofuran
CID 176746099
1,2,3,4-tetradeuterio-6-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 164737898
1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(3-phenylphenyl)dibenzofuran
CID 165169810

Frequently Asked Questions

What is the IUPAC name of 7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?
The IUPAC name of 7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran (CID 176743196) is 7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran.
What is the SMILES notation for 7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?
The canonical SMILES for 7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran is [2H]c1c([2H])c([2H])c2c(-c3cccc4c3oc3ccc5ccoc5c34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].
What is the InChIKey of 7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?
The InChIKey is DHQDOWDKJMMUEO-KGMSOBSMSA-N. The full InChI is InChI=1S/C34H20O2/c1-2-9-21(10-3-1)30-23-11-4-6-13-25(23)31(26-14-7-5-12-24(26)30)27-15-8-16-28-32-29(36-34(27)28)18-17-22-19-20-35-33(22)32/h1-20H/i4D,5D,6D,7D,11D,12D,13D,14D.
What are the key properties of 7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?
7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran has a molecular weight of 468.58 g/mol, XLogP of 9.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran is sourced from PubChem (CID 176743196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).