1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran

C222H164O4 — CID 158080872

IUPAC1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran
SMILESCC(C)(C)c1cc(-c2c3ccccc3c(-c3cccc4oc5cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5c34)c3ccccc23)cc(C(C)(C)C)c1.Cc1cccc(C)c1-c1c2ccccc2c(-c2cccc3oc4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4c23)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3cccc4oc5cccc(-c6c7ccccc7c(C7C8CC9CC(C8)CC7C9)c7ccccc67)c5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4oc5cccc(-c6c7ccccc7c(C7CCCCC7)c7ccccc67)c5c34)c3ccccc23)cc1
InChIInChI=1S/C60H48O.C56H42O.C54H36O.C52H38O/c1-59(2,3)39-34-38(35-40(36-39)60(4,5)6)54-43-24-12-16-28-47(43)56(48-29-17-13-25-44(48)54)50-31-19-33-52-58(50)57-49(30-18-32-51(57)61-52)55-45-26-14-10-22-41(45)53(37-20-8-7-9-21-37)42-23-11-15-27-46(42)55;1-2-14-35(15-3-1)51-38-16-4-6-18-40(38)52(41-19-7-5-17-39(41)51)46-24-12-26-48-55(46)56-47(25-13-27-49(56)57-48)53-42-20-8-10-22-44(42)54(45-23-11-9-21-43(45)53)50-36-29-33-28-34(31-36)32-37(50)30-33;1-33-17-14-18-34(2)48(33)52-42-27-12-10-25-40(42)51(41-26-11-13-28-43(41)52)45-30-16-32-47-54(45)53-44(29-15-31-46(53)55-47)50-38-23-8-6-21-36(38)49(35-19-4-3-5-20-35)37-22-7-9-24-39(37)50;1-3-17-33(18-4-1)47-35-21-7-11-25-39(35)49(40-26-12-8-22-36(40)47)43-29-15-31-45-51(43)52-44(30-16-32-46(52)53-45)50-41-27-13-9-23-37(41)48(34-19-5-2-6-20-34)38-24-10-14-28-42(38)50/h7-36H,1-6H3;1-27,33-34,36-37,50H,28-32H2;3-32H,1-2H3;1,3-4,7-18,21-32,34H,2,5-6,19-20H2
InChIKeyFMYBQEZQQWXKAY-UHFFFAOYSA-N
MW2895.75 g/mol
LogP63.93
Rot. Bonds16

About 1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran

1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran (PubChem CID 158080872) has the molecular formula C222H164O4 and a molecular weight of 2895.75 g/mol. Its IUPAC name is 1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran
PubChem CID158080872
Molecular FormulaC222H164O4
Molecular Weight2895.75 g/mol
Exact Mass2893.26
IUPAC Name1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran
SMILESCC(C)(C)c1cc(-c2c3ccccc3c(-c3cccc4oc5cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5c34)c3ccccc23)cc(C(C)(C)C)c1.Cc1cccc(C)c1-c1c2ccccc2c(-c2cccc3oc4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4c23)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3cccc4oc5cccc(-c6c7ccccc7c(C7C8CC9CC(C8)CC7C9)c7ccccc67)c5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4oc5cccc(-c6c7ccccc7c(C7CCCCC7)c7ccccc67)c5c34)c3ccccc23)cc1
InChIInChI=1S/C60H48O.C56H42O.C54H36O.C52H38O/c1-59(2,3)39-34-38(35-40(36-39)60(4,5)6)54-43-24-12-16-28-47(43)56(48-29-17-13-25-44(48)54)50-31-19-33-52-58(50)57-49(30-18-32-51(57)61-52)55-45-26-14-10-22-41(45)53(37-20-8-7-9-21-37)42-23-11-15-27-46(42)55;1-2-14-35(15-3-1)51-38-16-4-6-18-40(38)52(41-19-7-5-17-39(41)51)46-24-12-26-48-55(46)56-47(25-13-27-49(56)57-48)53-42-20-8-10-22-44(42)54(45-23-11-9-21-43(45)53)50-36-29-33-28-34(31-36)32-37(50)30-33;1-33-17-14-18-34(2)48(33)52-42-27-12-10-25-40(42)51(41-26-11-13-28-43(41)52)45-30-16-32-47-54(45)53-44(29-15-31-46(53)55-47)50-38-23-8-6-21-36(38)49(35-19-4-3-5-20-35)37-22-7-9-24-39(37)50;1-3-17-33(18-4-1)47-35-21-7-11-25-39(35)49(40-26-12-8-22-36(40)47)43-29-15-31-45-51(43)52-44(30-16-32-46(52)53-45)50-41-27-13-9-23-37(41)48(34-19-5-2-6-20-34)38-24-10-14-28-42(38)50/h7-36H,1-6H3;1-27,33-34,36-37,50H,28-32H2;3-32H,1-2H3;1,3-4,7-18,21-32,34H,2,5-6,19-20H2
InChIKeyFMYBQEZQQWXKAY-UHFFFAOYSA-N
XLogP63.93
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms226
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002895.75
LogP ≤ 563.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran with MolForge

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Related Compounds

6-[10-(2-adamantyl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-(10-tert-butylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzofuran;6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2,6-dimethylphenyl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 158353564
1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene
CID 159861167
3-[10-(2-adamantyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene;3-(10-tert-butylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene;3-(10-cyclohexylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene;bis(3-(10-methylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene);3-(10-nitroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 157303542
9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene
CID 157309087
6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 157102441
2,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene
CID 160966210
1,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzothiophene
CID 166706217
1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159371160
11-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 155205291
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
2-N,6-N-bis[3,5-bis(2-adamantyl)phenyl]-2-N,6-N-di(dibenzofuran-3-yl)-9,10-bis(2-phenylphenyl)anthracene-2,6-diamine
CID 156564554
2-[3-[9-(4-tert-butylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzofuran;2-[3-(9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran;2-[3-[9-(4-methylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzofuran
CID 161222040

Frequently Asked Questions

What is the IUPAC name of 1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran?
The IUPAC name of 1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran (CID 158080872) is 1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran is CC(C)(C)c1cc(-c2c3ccccc3c(-c3cccc4oc5cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5c34)c3ccccc23)cc(C(C)(C)C)c1.Cc1cccc(C)c1-c1c2ccccc2c(-c2cccc3oc4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4c23)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3cccc4oc5cccc(-c6c7ccccc7c(C7C8CC9CC(C8)CC7C9)c7ccccc67)c5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4oc5cccc(-c6c7ccccc7c(C7CCCCC7)c7ccccc67)c5c34)c3ccccc23)cc1.
What is the InChIKey of 1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran?
The InChIKey is FMYBQEZQQWXKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48O.C56H42O.C54H36O.C52H38O/c1-59(2,3)39-34-38(35-40(36-39)60(4,5)6)54-43-24-12-16-28-47(43)56(48-29-17-13-25-44(48)54)50-31-19-33-52-58(50)57-49(30-18-32-51(57)61-52)55-45-26-14-10-22-41(45)53(37-20-8-7-9-21-37)42-23-11-15-27-46(42)55;1-2-14-35(15-3-1)51-38-16-4-6-18-40(38)52(41-19-7-5-17-39(41)51)46-24-12-26-48-55(46)56-47(25-13-27-49(56)57-48)53-42-20-8-10-22-44(42)54(45-23-11-9-21-43(45)53)50-36-29-33-28-34(31-36)32-37(50)30-33;1-33-17-14-18-34(2)48(33)52-42-27-12-10-25-40(42)51(41-26-11-13-28-43(41)52)45-30-16-32-47-54(45)53-44(29-15-31-46(53)55-47)50-38-23-8-6-21-36(38)49(35-19-4-3-5-20-35)37-22-7-9-24-39(37)50;1-3-17-33(18-4-1)47-35-21-7-11-25-39(35)49(40-26-12-8-22-36(40)47)43-29-15-31-45-51(43)52-44(30-16-32-46(52)53-45)50-41-27-13-9-23-37(41)48(34-19-5-2-6-20-34)38-24-10-14-28-42(38)50/h7-36H,1-6H3;1-27,33-34,36-37,50H,28-32H2;3-32H,1-2H3;1,3-4,7-18,21-32,34H,2,5-6,19-20H2.
What are the key properties of 1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran?
1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran has a molecular weight of 2895.75 g/mol, XLogP of 63.93, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 158080872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).