4-(4-bromophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]phenyl]dibenzofuran;4,4,5,5-tetramethyl-2-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]-1,3,2-dioxaborolane

C122H84BBrO4 — CID 159949423

IUPAC4-(4-bromophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]phenyl]dibenzofuran;4,4,5,5-tetramethyl-2-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]-1,3,2-dioxaborolane
SMILES[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc4ccccc4c4cc(-c5ccc(-c6cccc7c6oc6c(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])cccc67)cc5)ccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc4ccccc4c4cc(B5OC(C)(C)C(C)(C)O5)ccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3c2oc2c(-c4ccc(Br)cc4)cccc23)c([2H])c1[2H]
InChIInChI=1S/C58H36O.C40H33BO2.C24H15BrO/c1-3-15-38(16-4-1)44-25-13-27-51-52-28-14-26-45(58(52)59-57(44)51)39-31-29-37(30-32-39)41-33-34-46-53(35-41)43-20-8-7-19-42(43)36-54(46)56-49-23-11-9-21-47(49)55(40-17-5-2-6-18-40)48-22-10-12-24-50(48)56;1-39(2)40(3,4)43-41(42-39)28-22-23-30-35(25-28)29-17-9-8-16-27(29)24-36(30)38-33-20-12-10-18-31(33)37(26-14-6-5-7-15-26)32-19-11-13-21-34(32)38;25-18-14-12-17(13-15-18)20-9-5-11-22-21-10-4-8-19(23(21)26-24(20)22)16-6-2-1-3-7-16/h1-36H;5-25H,1-4H3;1-15H/i1D,2D,3D,4D,5D,6D,15D,16D,17D,18D;5D,6D,7D,14D,15D;1D,2D,3D,6D,7D
InChIKeyOBXJVLNJMPUULS-FYMZPTPXSA-N
MW1724.85 g/mol
LogP34.15
Rot. Bonds10

About 4-(4-bromophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]phenyl]dibenzofuran;4,4,5,5-tetramethyl-2-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]-1,3,2-dioxaborolane

4-(4-bromophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]phenyl]dibenzofuran;4,4,5,5-tetramethyl-2-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]-1,3,2-dioxaborolane (PubChem CID 159949423) has the molecular formula C122H84BBrO4 and a molecular weight of 1724.85 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]phenyl]dibenzofuran;4,4,5,5-tetramethyl-2-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]phenyl]dibenzofuran;4,4,5,5-tetramethyl-2-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]-1,3,2-dioxaborolane
PubChem CID159949423
Molecular FormulaC122H84BBrO4
Molecular Weight1724.85 g/mol
Exact Mass1722.69
IUPAC Name4-(4-bromophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]phenyl]dibenzofuran;4,4,5,5-tetramethyl-2-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]-1,3,2-dioxaborolane
SMILES[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc4ccccc4c4cc(-c5ccc(-c6cccc7c6oc6c(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])cccc67)cc5)ccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc4ccccc4c4cc(B5OC(C)(C)C(C)(C)O5)ccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3c2oc2c(-c4ccc(Br)cc4)cccc23)c([2H])c1[2H]
InChIInChI=1S/C58H36O.C40H33BO2.C24H15BrO/c1-3-15-38(16-4-1)44-25-13-27-51-52-28-14-26-45(58(52)59-57(44)51)39-31-29-37(30-32-39)41-33-34-46-53(35-41)43-20-8-7-19-42(43)36-54(46)56-49-23-11-9-21-47(49)55(40-17-5-2-6-18-40)48-22-10-12-24-50(48)56;1-39(2)40(3,4)43-41(42-39)28-22-23-30-35(25-28)29-17-9-8-16-27(29)24-36(30)38-33-20-12-10-18-31(33)37(26-14-6-5-7-15-26)32-19-11-13-21-34(32)38;25-18-14-12-17(13-15-18)20-9-5-11-22-21-10-4-8-19(23(21)26-24(20)22)16-6-2-1-3-7-16/h1-36H;5-25H,1-4H3;1-15H/i1D,2D,3D,4D,5D,6D,15D,16D,17D,18D;5D,6D,7D,14D,15D;1D,2D,3D,6D,7D
InChIKeyOBXJVLNJMPUULS-FYMZPTPXSA-N
XLogP34.15
TPSA44.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001724.85
LogP ≤ 534.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-bromophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]phenyl]dibenzofuran;4,4,5,5-tetramethyl-2-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]-1,3,2-dioxaborolane with MolForge

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Related Compounds

4,4,5,5-tetramethyl-2-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,2-dioxaborolane
CID 169059379
4-(2,3,4,5,6-pentadeuteriophenyl)-6-[10-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 164737873
2-(2,3,4,5,6-pentadeuteriophenyl)-8-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]dibenzofuran
CID 165005404
2-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]triphenylene;2-bromotriphenylene;4,4,5,5-tetramethyl-2-triphenylen-2-yl-1,3,2-dioxaborolane
CID 161045920
6-(2,3,4,5,6-pentadeuteriophenyl)-2-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170662499
4,4,5,5-tetramethyl-2-(6-naphtho[2,3-b][1]benzofuran-9-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(7-naphtho[3,2-b][1]benzofuran-8-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[7,6-b][1]benzofuran-7-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
CID 158464335
6-(2,3,4,5,6-pentadeuteriophenyl)-3-[10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170662888
4-(2,3,4,5,6-pentadeuteriophenyl)-6-[3-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]dibenzofuran
CID 170653880
6-(2,3,4,5,6-pentadeuteriophenyl)-3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170663493
4-[5-tert-butyl-9-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;7-(2,3,4,5,6-pentadeuteriophenyl)-2-[9-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-2-yl]dibenzofuran
CID 165067918
4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,2-dioxaborolane
CID 165019998
9-(2,3,4,5,6-pentadeuteriophenyl)-10-[5-(4-phenylphenyl)phenanthren-9-yl]anthracene
CID 171415252

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]phenyl]dibenzofuran;4,4,5,5-tetramethyl-2-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4-(4-bromophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]phenyl]dibenzofuran;4,4,5,5-tetramethyl-2-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]-1,3,2-dioxaborolane (CID 159949423) is 4-(4-bromophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]phenyl]dibenzofuran;4,4,5,5-tetramethyl-2-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4-(4-bromophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]phenyl]dibenzofuran;4,4,5,5-tetramethyl-2-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4-(4-bromophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]phenyl]dibenzofuran;4,4,5,5-tetramethyl-2-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]-1,3,2-dioxaborolane is [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc4ccccc4c4cc(-c5ccc(-c6cccc7c6oc6c(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])cccc67)cc5)ccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc4ccccc4c4cc(B5OC(C)(C)C(C)(C)O5)ccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3c2oc2c(-c4ccc(Br)cc4)cccc23)c([2H])c1[2H].
What is the InChIKey of 4-(4-bromophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]phenyl]dibenzofuran;4,4,5,5-tetramethyl-2-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]-1,3,2-dioxaborolane?
The InChIKey is OBXJVLNJMPUULS-FYMZPTPXSA-N. The full InChI is InChI=1S/C58H36O.C40H33BO2.C24H15BrO/c1-3-15-38(16-4-1)44-25-13-27-51-52-28-14-26-45(58(52)59-57(44)51)39-31-29-37(30-32-39)41-33-34-46-53(35-41)43-20-8-7-19-42(43)36-54(46)56-49-23-11-9-21-47(49)55(40-17-5-2-6-18-40)48-22-10-12-24-50(48)56;1-39(2)40(3,4)43-41(42-39)28-22-23-30-35(25-28)29-17-9-8-16-27(29)24-36(30)38-33-20-12-10-18-31(33)37(26-14-6-5-7-15-26)32-19-11-13-21-34(32)38;25-18-14-12-17(13-15-18)20-9-5-11-22-21-10-4-8-19(23(21)26-24(20)22)16-6-2-1-3-7-16/h1-36H;5-25H,1-4H3;1-15H/i1D,2D,3D,4D,5D,6D,15D,16D,17D,18D;5D,6D,7D,14D,15D;1D,2D,3D,6D,7D.
What are the key properties of 4-(4-bromophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]phenyl]dibenzofuran;4,4,5,5-tetramethyl-2-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]-1,3,2-dioxaborolane?
4-(4-bromophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]phenyl]dibenzofuran;4,4,5,5-tetramethyl-2-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]-1,3,2-dioxaborolane has a molecular weight of 1724.85 g/mol, XLogP of 34.15, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]phenyl]dibenzofuran;4,4,5,5-tetramethyl-2-[10-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenanthren-3-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 159949423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).