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

C126H78O3 — CID 167590112

IUPAC6-naphthalen-2-yl-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenanthren-9-yldibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc4oc5c(-c6cc7ccccc7c7ccccc67)cccc5c34)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(-c3cccc4oc5c(-c6ccc7ccccc7c6)cccc5c34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3c2oc2cccc(-c4c5c([2H])c([2H])c([2H])c([2H])c5c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5c([2H])c([2H])c([2H])c([2H])c45)c23)c([2H])c1[2H]
InChIInChI=1S/C46H28O.C42H26O.C38H24O/c1-2-14-29(15-3-1)43-34-20-8-10-22-36(34)44(37-23-11-9-21-35(37)43)39-25-13-27-42-45(39)40-26-12-24-38(46(40)47-42)41-28-30-16-4-5-17-31(30)32-18-6-7-19-33(32)41;1-2-13-28(14-3-1)39-32-16-6-8-18-34(32)40(35-19-9-7-17-33(35)39)36-21-11-23-38-41(36)37-22-10-20-31(42(37)43-38)30-25-24-27-12-4-5-15-29(27)26-30;1-3-13-25(14-4-1)27-21-11-23-33-37-32(22-12-24-34(37)39-38(27)33)36-30-19-9-7-17-28(30)35(26-15-5-2-6-16-26)29-18-8-10-20-31(29)36/h1-28H;1-26H;1-24H/i1D,2D,3D,8D,9D,10D,11D,14D,15D,20D,21D,22D,23D;1D,2D,3D,6D,7D,8D,9D,13D,14D,16D,17D,18D,19D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,13D,14D,15D,16D,17D,18D,19D,20D
InChIKeyIIASAMNRFYQMOD-DHDMRBEESA-N
MW1684.28 g/mol
LogP36.14
Rot. Bonds9

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

6-naphthalen-2-yl-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenanthren-9-yldibenzofuran (PubChem CID 167590112) has the molecular formula C126H78O3 and a molecular weight of 1684.28 g/mol. Its IUPAC name is 6-naphthalen-2-yl-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenanthren-9-yldibenzofuran.

Molecular Properties

Compound Name6-naphthalen-2-yl-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenanthren-9-yldibenzofuran
PubChem CID167590112
Molecular FormulaC126H78O3
Molecular Weight1684.28 g/mol
Exact Mass1682.87
IUPAC Name6-naphthalen-2-yl-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenanthren-9-yldibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc4oc5c(-c6cc7ccccc7c7ccccc67)cccc5c34)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(-c3cccc4oc5c(-c6ccc7ccccc7c6)cccc5c34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3c2oc2cccc(-c4c5c([2H])c([2H])c([2H])c([2H])c5c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5c([2H])c([2H])c([2H])c([2H])c45)c23)c([2H])c1[2H]
InChIInChI=1S/C46H28O.C42H26O.C38H24O/c1-2-14-29(15-3-1)43-34-20-8-10-22-36(34)44(37-23-11-9-21-35(37)43)39-25-13-27-42-45(39)40-26-12-24-38(46(40)47-42)41-28-30-16-4-5-17-31(30)32-18-6-7-19-33(32)41;1-2-13-28(14-3-1)39-32-16-6-8-18-34(32)40(35-19-9-7-17-33(35)39)36-21-11-23-38-41(36)37-22-10-20-31(42(37)43-38)30-25-24-27-12-4-5-15-29(27)26-30;1-3-13-25(14-4-1)27-21-11-23-33-37-32(22-12-24-34(37)39-38(27)33)36-30-19-9-7-17-28(30)35(26-15-5-2-6-16-26)29-18-8-10-20-31(29)36/h1-28H;1-26H;1-24H/i1D,2D,3D,8D,9D,10D,11D,14D,15D,20D,21D,22D,23D;1D,2D,3D,6D,7D,8D,9D,13D,14D,16D,17D,18D,19D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,13D,14D,15D,16D,17D,18D,19D,20D
InChIKeyIIASAMNRFYQMOD-DHDMRBEESA-N
XLogP36.14
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001684.28
LogP ≤ 536.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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

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Related Compounds

6-naphthalen-2-yl-3-[6-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran
CID 167407103
1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 153436512
7-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)-3-phenylnaphtho[1,2-b][1]benzofuran
CID 177072178
7-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 153473853
2-naphthalen-2-yl-6-[2,3,5,6-tetradeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 167406300
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
6-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167405242
7-[1,2,3,4,5,6,7,8-octadeuterio-10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 153473719
7-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)-3-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran
CID 177072123
4-(2,3,4,5,6-pentadeuteriophenyl)-6-[10-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 164737873
1-naphthalen-1-yl-6-[6-[1,2,3,4,5,6,7,8-octadeuterio-10-[(2,3,4,5,6-pentadeuteriophenyl)methyl]anthracen-9-yl]naphthalen-2-yl]dibenzofuran
CID 167419358
1,2,3,6,7,8-hexadeuterio-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 167405486

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenanthren-9-yldibenzofuran?
The IUPAC name of 6-naphthalen-2-yl-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenanthren-9-yldibenzofuran (CID 167590112) is 6-naphthalen-2-yl-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenanthren-9-yldibenzofuran.
What is the SMILES notation for 6-naphthalen-2-yl-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenanthren-9-yldibenzofuran?
The canonical SMILES for 6-naphthalen-2-yl-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenanthren-9-yldibenzofuran is [2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc4oc5c(-c6cc7ccccc7c7ccccc67)cccc5c34)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(-c3cccc4oc5c(-c6ccc7ccccc7c6)cccc5c34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3c2oc2cccc(-c4c5c([2H])c([2H])c([2H])c([2H])c5c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5c([2H])c([2H])c([2H])c([2H])c45)c23)c([2H])c1[2H].
What is the InChIKey of 6-naphthalen-2-yl-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenanthren-9-yldibenzofuran?
The InChIKey is IIASAMNRFYQMOD-DHDMRBEESA-N. The full InChI is InChI=1S/C46H28O.C42H26O.C38H24O/c1-2-14-29(15-3-1)43-34-20-8-10-22-36(34)44(37-23-11-9-21-35(37)43)39-25-13-27-42-45(39)40-26-12-24-38(46(40)47-42)41-28-30-16-4-5-17-31(30)32-18-6-7-19-33(32)41;1-2-13-28(14-3-1)39-32-16-6-8-18-34(32)40(35-19-9-7-17-33(35)39)36-21-11-23-38-41(36)37-22-10-20-31(42(37)43-38)30-25-24-27-12-4-5-15-29(27)26-30;1-3-13-25(14-4-1)27-21-11-23-33-37-32(22-12-24-34(37)39-38(27)33)36-30-19-9-7-17-28(30)35(26-15-5-2-6-16-26)29-18-8-10-20-31(29)36/h1-28H;1-26H;1-24H/i1D,2D,3D,8D,9D,10D,11D,14D,15D,20D,21D,22D,23D;1D,2D,3D,6D,7D,8D,9D,13D,14D,16D,17D,18D,19D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,13D,14D,15D,16D,17D,18D,19D,20D.
What are the key properties of 6-naphthalen-2-yl-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenanthren-9-yldibenzofuran?
6-naphthalen-2-yl-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenanthren-9-yldibenzofuran has a molecular weight of 1684.28 g/mol, XLogP of 36.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenanthren-9-yldibenzofuran is sourced from PubChem (CID 167590112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).