2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;8-[1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1-phenyldibenzofuran

C148H90O4 — CID 158251919

IUPAC2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;8-[1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1-phenyldibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cccc4c(-c5c(-c6cccc7c6oc6ccc8ccccc8c67)ccc6oc7ccccc7c56)cccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cccc4c(-c5ccc6oc7ccccc7c6c5)cccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cccc4c(-c5ccc6oc7ccccc7c6c5-c5ccccc5)cccc34)c3ccccc23)c([2H])c1[2H]
InChIInChI=1S/C58H34O2.C48H30O.C42H26O/c1-2-16-36(17-3-1)53-42-19-6-8-21-44(42)54(45-22-9-7-20-43(45)53)40-26-12-25-39-38(40)24-13-27-41(39)56-46(32-34-52-57(56)48-23-10-11-30-50(48)59-52)47-28-14-29-49-55-37-18-5-4-15-35(37)31-33-51(55)60-58(47)49;1-3-15-31(16-4-1)45-37-19-7-9-21-39(37)47(40-22-10-8-20-38(40)45)36-27-14-24-33-34(36)25-13-26-35(33)41-29-30-44-48(42-23-11-12-28-43(42)49-44)46(41)32-17-5-2-6-18-32;1-2-12-27(13-3-1)41-34-15-4-6-17-36(34)42(37-18-7-5-16-35(37)41)33-22-11-20-30-29(19-10-21-31(30)33)28-24-25-40-38(26-28)32-14-8-9-23-39(32)43-40/h1-34H;1-30H;1-26H/i1D,2D,3D,16D,17D;1D,3D,4D,15D,16D;1D,2D,3D,12D,13D
InChIKeyGGUYRFOZBNVYMM-CDHMNCRUSA-N
MW1947.44 g/mol
LogP42.53
Rot. Bonds11

About 2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;8-[1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1-phenyldibenzofuran

2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;8-[1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1-phenyldibenzofuran (PubChem CID 158251919) has the molecular formula C148H90O4 and a molecular weight of 1947.44 g/mol. Its IUPAC name is 2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;8-[1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1-phenyldibenzofuran.

Molecular Properties

Compound Name2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;8-[1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1-phenyldibenzofuran
PubChem CID158251919
Molecular FormulaC148H90O4
Molecular Weight1947.44 g/mol
Exact Mass1945.78
IUPAC Name2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;8-[1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1-phenyldibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cccc4c(-c5c(-c6cccc7c6oc6ccc8ccccc8c67)ccc6oc7ccccc7c56)cccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cccc4c(-c5ccc6oc7ccccc7c6c5)cccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cccc4c(-c5ccc6oc7ccccc7c6c5-c5ccccc5)cccc34)c3ccccc23)c([2H])c1[2H]
InChIInChI=1S/C58H34O2.C48H30O.C42H26O/c1-2-16-36(17-3-1)53-42-19-6-8-21-44(42)54(45-22-9-7-20-43(45)53)40-26-12-25-39-38(40)24-13-27-41(39)56-46(32-34-52-57(56)48-23-10-11-30-50(48)59-52)47-28-14-29-49-55-37-18-5-4-15-35(37)31-33-51(55)60-58(47)49;1-3-15-31(16-4-1)45-37-19-7-9-21-39(37)47(40-22-10-8-20-38(40)45)36-27-14-24-33-34(36)25-13-26-35(33)41-29-30-44-48(42-23-11-12-28-43(42)49-44)46(41)32-17-5-2-6-18-32;1-2-12-27(13-3-1)41-34-15-4-6-17-36(34)42(37-18-7-5-16-35(37)41)33-22-11-20-30-29(19-10-21-31(30)33)28-24-25-40-38(26-28)32-14-8-9-23-39(32)43-40/h1-34H;1-30H;1-26H/i1D,2D,3D,16D,17D;1D,3D,4D,15D,16D;1D,2D,3D,12D,13D
InChIKeyGGUYRFOZBNVYMM-CDHMNCRUSA-N
XLogP42.53
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001947.44
LogP ≤ 542.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;8-[1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1-phenyldibenzofuran with MolForge

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Related Compounds

2-dibenzofuran-4-yl-1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 140831499
2-dibenzofuran-4-yl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-2-(3-phenylphenyl)dibenzofuran
CID 159693215
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
4-dibenzofuran-4-yl-2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;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 167583900
2-dibenzofuran-2-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 165169787
5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 130190220
1-(2,3,4,5,6-pentadeuteriophenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170662227
2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 164737887
2-[2,3,4,6,7,8-hexadeuterio-5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 165087827
2-[5-[4,5-bis(naphtho[2,1-b][1]benzofuran-8-yl)anthracen-9-yl]naphthalen-1-yl]-6-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran
CID 155335063
2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-phenyldibenzofuran
CID 140831320
7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 130185376

Frequently Asked Questions

What is the IUPAC name of 2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;8-[1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1-phenyldibenzofuran?
The IUPAC name of 2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;8-[1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1-phenyldibenzofuran (CID 158251919) is 2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;8-[1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1-phenyldibenzofuran.
What is the SMILES notation for 2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;8-[1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1-phenyldibenzofuran?
The canonical SMILES for 2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;8-[1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1-phenyldibenzofuran is [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cccc4c(-c5c(-c6cccc7c6oc6ccc8ccccc8c67)ccc6oc7ccccc7c56)cccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cccc4c(-c5ccc6oc7ccccc7c6c5)cccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cccc4c(-c5ccc6oc7ccccc7c6c5-c5ccccc5)cccc34)c3ccccc23)c([2H])c1[2H].
What is the InChIKey of 2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;8-[1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1-phenyldibenzofuran?
The InChIKey is GGUYRFOZBNVYMM-CDHMNCRUSA-N. The full InChI is InChI=1S/C58H34O2.C48H30O.C42H26O/c1-2-16-36(17-3-1)53-42-19-6-8-21-44(42)54(45-22-9-7-20-43(45)53)40-26-12-25-39-38(40)24-13-27-41(39)56-46(32-34-52-57(56)48-23-10-11-30-50(48)59-52)47-28-14-29-49-55-37-18-5-4-15-35(37)31-33-51(55)60-58(47)49;1-3-15-31(16-4-1)45-37-19-7-9-21-39(37)47(40-22-10-8-20-38(40)45)36-27-14-24-33-34(36)25-13-26-35(33)41-29-30-44-48(42-23-11-12-28-43(42)49-44)46(41)32-17-5-2-6-18-32;1-2-12-27(13-3-1)41-34-15-4-6-17-36(34)42(37-18-7-5-16-35(37)41)33-22-11-20-30-29(19-10-21-31(30)33)28-24-25-40-38(26-28)32-14-8-9-23-39(32)43-40/h1-34H;1-30H;1-26H/i1D,2D,3D,16D,17D;1D,3D,4D,15D,16D;1D,2D,3D,12D,13D.
What are the key properties of 2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;8-[1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1-phenyldibenzofuran?
2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;8-[1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1-phenyldibenzofuran has a molecular weight of 1947.44 g/mol, XLogP of 42.53, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;8-[1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-1-phenyldibenzofuran is sourced from PubChem (CID 158251919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).