6-[10-(2,6-difluorophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-isocyanophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[9-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;1-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran

C209H123F5N2O4 — CID 158563251

IUPAC6-[10-(2,6-difluorophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-isocyanophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[9-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;1-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran
SMILESFC(F)(F)c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c34)c3ccccc23)cc1.Fc1cccc(F)c1-c1c2ccccc2c(-c2cccc3c2oc2cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c23)c2ccccc12.[C-]#[N+]c1ccccc1-c1c2ccccc2c(-c2cccc3c2oc2cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c23)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3cccc4oc5c(-c6c7ccccc7c(-c7cccnc7)c7ccccc67)cccc5c34)c3ccccc23)cc1
InChIInChI=1S/C53H31F3O.C53H31NO.C52H30F2O.C51H31NO/c54-53(55,56)34-30-28-33(29-31-34)48-37-18-6-10-22-41(37)50(42-23-11-7-19-38(42)48)44-25-12-26-45-51-43(24-13-27-46(51)57-52(44)45)49-39-20-8-4-16-35(39)47(32-14-2-1-3-15-32)36-17-5-9-21-40(36)49;1-54-46-31-14-13-27-42(46)49-38-23-9-11-25-40(38)51(41-26-12-10-24-39(41)49)44-29-15-30-45-52-43(28-16-32-47(52)55-53(44)45)50-36-21-7-5-19-34(36)48(33-17-3-2-4-18-33)35-20-6-8-22-37(35)50;53-43-28-14-29-44(54)51(43)50-38-23-10-8-21-36(38)48(37-22-9-11-24-39(37)50)41-26-12-27-42-49-40(25-13-30-45(49)55-52(41)42)47-34-19-6-4-17-32(34)46(31-15-2-1-3-16-31)33-18-5-7-20-35(33)47;1-2-15-32(16-3-1)46-34-18-4-8-22-38(34)48(39-23-9-5-19-35(39)46)42-26-13-29-45-50(42)44-28-12-27-43(51(44)53-45)49-40-24-10-6-20-36(40)47(33-17-14-30-52-31-33)37-21-7-11-25-41(37)49/h1-31H;2-32H;1-30H;1-31H
InChIKeyHRDOZIDPKQTJCZ-UHFFFAOYSA-N
MW2821.28 g/mol
LogP60.71
Rot. Bonds16

About 6-[10-(2,6-difluorophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-isocyanophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[9-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;1-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran

6-[10-(2,6-difluorophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-isocyanophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[9-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;1-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran (PubChem CID 158563251) has the molecular formula C209H123F5N2O4 and a molecular weight of 2821.28 g/mol. Its IUPAC name is 6-[10-(2,6-difluorophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-isocyanophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[9-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;1-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name6-[10-(2,6-difluorophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-isocyanophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[9-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;1-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran
PubChem CID158563251
Molecular FormulaC209H123F5N2O4
Molecular Weight2821.28 g/mol
Exact Mass2818.94
IUPAC Name6-[10-(2,6-difluorophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-isocyanophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[9-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;1-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran
SMILESFC(F)(F)c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c34)c3ccccc23)cc1.Fc1cccc(F)c1-c1c2ccccc2c(-c2cccc3c2oc2cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c23)c2ccccc12.[C-]#[N+]c1ccccc1-c1c2ccccc2c(-c2cccc3c2oc2cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c23)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3cccc4oc5c(-c6c7ccccc7c(-c7cccnc7)c7ccccc67)cccc5c34)c3ccccc23)cc1
InChIInChI=1S/C53H31F3O.C53H31NO.C52H30F2O.C51H31NO/c54-53(55,56)34-30-28-33(29-31-34)48-37-18-6-10-22-41(37)50(42-23-11-7-19-38(42)48)44-25-12-26-45-51-43(24-13-27-46(51)57-52(44)45)49-39-20-8-4-16-35(39)47(32-14-2-1-3-15-32)36-17-5-9-21-40(36)49;1-54-46-31-14-13-27-42(46)49-38-23-9-11-25-40(38)51(41-26-12-10-24-39(41)49)44-29-15-30-45-52-43(28-16-32-47(52)55-53(44)45)50-36-21-7-5-19-34(36)48(33-17-3-2-4-18-33)35-20-6-8-22-37(35)50;53-43-28-14-29-44(54)51(43)50-38-23-10-8-21-36(38)48(37-22-9-11-24-39(37)50)41-26-12-27-42-49-40(25-13-30-45(49)55-52(41)42)47-34-19-6-4-17-32(34)46(31-15-2-1-3-16-31)33-18-5-7-20-35(33)47;1-2-15-32(16-3-1)46-34-18-4-8-22-38(34)48(39-23-9-5-19-35(39)46)42-26-13-29-45-50(42)44-28-12-27-43(51(44)53-45)49-40-24-10-6-20-36(40)47(33-17-14-30-52-31-33)37-21-7-11-25-41(37)49/h1-31H;2-32H;1-30H;1-31H
InChIKeyHRDOZIDPKQTJCZ-UHFFFAOYSA-N
XLogP60.71
TPSA69.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms220
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002821.28
LogP ≤ 560.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[10-(2,6-difluorophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-isocyanophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[9-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;1-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran with MolForge

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Related Compounds

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CID 59193890
N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide;3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzoic acid
CID 87301910
N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide
CID 87301911
19-[7-(2,3,4,5,6-Pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
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Frequently Asked Questions

What is the IUPAC name of 6-[10-(2,6-difluorophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-isocyanophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[9-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;1-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran?
The IUPAC name of 6-[10-(2,6-difluorophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-isocyanophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[9-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;1-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran (CID 158563251) is 6-[10-(2,6-difluorophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-isocyanophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[9-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;1-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 6-[10-(2,6-difluorophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-isocyanophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[9-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;1-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for 6-[10-(2,6-difluorophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-isocyanophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[9-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;1-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran is FC(F)(F)c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c34)c3ccccc23)cc1.Fc1cccc(F)c1-c1c2ccccc2c(-c2cccc3c2oc2cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c23)c2ccccc12.[C-]#[N+]c1ccccc1-c1c2ccccc2c(-c2cccc3c2oc2cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c23)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3cccc4oc5c(-c6c7ccccc7c(-c7cccnc7)c7ccccc67)cccc5c34)c3ccccc23)cc1.
What is the InChIKey of 6-[10-(2,6-difluorophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-isocyanophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[9-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;1-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran?
The InChIKey is HRDOZIDPKQTJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31F3O.C53H31NO.C52H30F2O.C51H31NO/c54-53(55,56)34-30-28-33(29-31-34)48-37-18-6-10-22-41(37)50(42-23-11-7-19-38(42)48)44-25-12-26-45-51-43(24-13-27-46(51)57-52(44)45)49-39-20-8-4-16-35(39)47(32-14-2-1-3-15-32)36-17-5-9-21-40(36)49;1-54-46-31-14-13-27-42(46)49-38-23-9-11-25-40(38)51(41-26-12-10-24-39(41)49)44-29-15-30-45-52-43(28-16-32-47(52)55-53(44)45)50-36-21-7-5-19-34(36)48(33-17-3-2-4-18-33)35-20-6-8-22-37(35)50;53-43-28-14-29-44(54)51(43)50-38-23-10-8-21-36(38)48(37-22-9-11-24-39(37)50)41-26-12-27-42-49-40(25-13-30-45(49)55-52(41)42)47-34-19-6-4-17-32(34)46(31-15-2-1-3-16-31)33-18-5-7-20-35(33)47;1-2-15-32(16-3-1)46-34-18-4-8-22-38(34)48(39-23-9-5-19-35(39)46)42-26-13-29-45-50(42)44-28-12-27-43(51(44)53-45)49-40-24-10-6-20-36(40)47(33-17-14-30-52-31-33)37-21-7-11-25-41(37)49/h1-31H;2-32H;1-30H;1-31H.
What are the key properties of 6-[10-(2,6-difluorophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-isocyanophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[9-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;1-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran?
6-[10-(2,6-difluorophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-isocyanophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[9-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;1-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran has a molecular weight of 2821.28 g/mol, XLogP of 60.71, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(2,6-difluorophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-isocyanophenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[9-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;1-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 158563251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).