2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran

C120H76O3 — CID 167611859

IUPAC2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c([2H])c4oc5ccccc5c34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5ccc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5ccccc5c4c3-c3ccc(-c4ccccc4)cc3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H]
InChIInChI=1S/2C44H28O.C32H20O/c1-3-13-29(14-4-1)30-23-25-32(26-24-30)42-38(27-28-40-44(42)37-21-11-12-22-39(37)45-40)43-35-19-9-7-17-33(35)41(31-15-5-2-6-16-31)34-18-8-10-20-36(34)43;1-3-12-29(13-4-1)31-16-11-17-32(26-31)33-22-24-41-39(27-33)40-28-34(23-25-42(40)45-41)44-37-20-9-7-18-35(37)43(30-14-5-2-6-15-30)36-19-8-10-21-38(36)44;1-2-11-21(12-3-1)30-22-13-4-6-15-24(22)31(25-16-7-5-14-23(25)30)27-18-10-20-29-32(27)26-17-8-9-19-28(26)33-29/h2*1-28H;1-20H/i2D,5D,6D,7D,8D,9D,10D,15D,16D,17D,18D,19D,20D;2D,5D,6D,7D,8D,9D,10D,14D,15D,18D,19D,20D,21D;1D,2D,3D,4D,5D,6D,7D,10D,11D,12D,13D,14D,15D,16D,18D,20D
InChIKeyLDYXPJKBSNYKBS-JTYFTLLTSA-N
MW1608.18 g/mol
LogP34.35
Rot. Bonds10

About 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran

2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran (PubChem CID 167611859) has the molecular formula C120H76O3 and a molecular weight of 1608.18 g/mol. Its IUPAC name is 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran
PubChem CID167611859
Molecular FormulaC120H76O3
Molecular Weight1608.18 g/mol
Exact Mass1606.84
IUPAC Name2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c([2H])c4oc5ccccc5c34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5ccc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5ccccc5c4c3-c3ccc(-c4ccccc4)cc3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H]
InChIInChI=1S/2C44H28O.C32H20O/c1-3-13-29(14-4-1)30-23-25-32(26-24-30)42-38(27-28-40-44(42)37-21-11-12-22-39(37)45-40)43-35-19-9-7-17-33(35)41(31-15-5-2-6-16-31)34-18-8-10-20-36(34)43;1-3-12-29(13-4-1)31-16-11-17-32(26-31)33-22-24-41-39(27-33)40-28-34(23-25-42(40)45-41)44-37-20-9-7-18-35(37)43(30-14-5-2-6-15-30)36-19-8-10-21-38(36)44;1-2-11-21(12-3-1)30-22-13-4-6-15-24(22)31(25-16-7-5-14-23(25)30)27-18-10-20-29-32(27)26-17-8-9-19-28(26)33-29/h2*1-28H;1-20H/i2D,5D,6D,7D,8D,9D,10D,15D,16D,17D,18D,19D,20D;2D,5D,6D,7D,8D,9D,10D,14D,15D,18D,19D,20D,21D;1D,2D,3D,4D,5D,6D,7D,10D,11D,12D,13D,14D,15D,16D,18D,20D
InChIKeyLDYXPJKBSNYKBS-JTYFTLLTSA-N
XLogP34.35
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001608.18
LogP ≤ 534.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran with MolForge

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Related Compounds

1-(2,3,4,5,6-pentadeuteriophenyl)-2-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170653669
1-(2,3,4,5,6-pentadeuteriophenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170662227
1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 165169580
2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 153474857
2-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 176646920
8-(2,3,4,5,6-pentadeuteriophenyl)-1-(1,2,3,4-tetradeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 167379006
4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 162015927
1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-2-phenyldibenzofuran;1-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167659493
1-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(10-phenylanthracen-9-yl)dibenzofuran
CID 161049408
1-[10-[3-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]anthracen-9-yl]-8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 170664195
2-[3-[10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 170664072
2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-phenyldibenzofuran
CID 140831320

Frequently Asked Questions

What is the IUPAC name of 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran (CID 167611859) is 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran is [2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c([2H])c4oc5ccccc5c34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5ccc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5ccccc5c4c3-c3ccc(-c4ccccc4)cc3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].
What is the InChIKey of 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran?
The InChIKey is LDYXPJKBSNYKBS-JTYFTLLTSA-N. The full InChI is InChI=1S/2C44H28O.C32H20O/c1-3-13-29(14-4-1)30-23-25-32(26-24-30)42-38(27-28-40-44(42)37-21-11-12-22-39(37)45-40)43-35-19-9-7-17-33(35)41(31-15-5-2-6-16-31)34-18-8-10-20-36(34)43;1-3-12-29(13-4-1)31-16-11-17-32(26-31)33-22-24-41-39(27-33)40-28-34(23-25-42(40)45-41)44-37-20-9-7-18-35(37)43(30-14-5-2-6-15-30)36-19-8-10-21-38(36)44;1-2-11-21(12-3-1)30-22-13-4-6-15-24(22)31(25-16-7-5-14-23(25)30)27-18-10-20-29-32(27)26-17-8-9-19-28(26)33-29/h2*1-28H;1-20H/i2D,5D,6D,7D,8D,9D,10D,15D,16D,17D,18D,19D,20D;2D,5D,6D,7D,8D,9D,10D,14D,15D,18D,19D,20D,21D;1D,2D,3D,4D,5D,6D,7D,10D,11D,12D,13D,14D,15D,16D,18D,20D.
What are the key properties of 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran?
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran has a molecular weight of 1608.18 g/mol, XLogP of 34.35, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 167611859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).