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

C272H200O5 — CID 158353564

IUPAC6-[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
SMILESCC(C)(C)c1c2ccccc2c(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc23)c2ccccc12.CC(C)(C)c1cc(-c2c3ccccc3c(-c3cccc4c3oc3ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc34)c3ccccc23)cc(C(C)(C)C)c1.Cc1cccc(C)c1-c1c2ccccc2c(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc23)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3ccc4oc5c(-c6c7ccccc7c(C7C8CC9CC(C8)CC7C9)c7ccccc67)cccc5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5c(-c6c7ccccc7c(C7CCCCC7)c7ccccc67)cccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C60H48O.C56H42O.C54H36O.C52H38O.C50H36O/c1-59(2,3)40-33-39(34-41(36-40)60(4,5)6)56-46-25-14-16-27-48(46)57(49-28-17-15-26-47(49)56)51-30-18-29-50-52-35-38(31-32-53(52)61-58(50)51)55-44-23-12-10-21-42(44)54(37-19-8-7-9-20-37)43-22-11-13-24-45(43)55;1-2-13-35(14-3-1)52-39-15-4-6-17-41(39)53(42-18-7-5-16-40(42)52)36-25-26-50-49(32-36)47-23-12-24-48(56(47)57-50)54-43-19-8-10-21-45(43)55(46-22-11-9-20-44(46)54)51-37-28-33-27-34(30-37)31-38(51)29-33;1-33-16-14-17-34(2)49(33)53-43-26-12-10-24-41(43)52(42-25-11-13-27-44(42)53)46-29-15-28-45-47-32-36(30-31-48(47)55-54(45)46)51-39-22-8-6-20-37(39)50(35-18-4-3-5-19-35)38-21-7-9-23-40(38)51;1-3-16-33(17-4-1)48-36-20-7-9-22-38(36)50(39-23-10-8-21-37(39)48)35-30-31-47-46(32-35)44-28-15-29-45(52(44)53-47)51-42-26-13-11-24-40(42)49(34-18-5-2-6-19-34)41-25-12-14-27-43(41)51;1-50(2,3)48-39-24-13-11-22-37(39)47(38-23-12-14-25-40(38)48)42-27-15-26-41-43-30-32(28-29-44(43)51-49(41)42)46-35-20-9-7-18-33(35)45(31-16-5-4-6-17-31)34-19-8-10-21-36(34)46/h7-36H,1-6H3;1-26,32-34,37-38,51H,27-31H2;3-32H,1-2H3;1,3-4,7-17,20-32,34H,2,5-6,18-19H2;4-30H,1-3H3
InChIKeyGSPLSJZSYPHOPM-UHFFFAOYSA-N
MW3548.59 g/mol
LogP78.43
Rot. Bonds19

About 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

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 (PubChem CID 158353564) has the molecular formula C272H200O5 and a molecular weight of 3548.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID158353564
Molecular FormulaC272H200O5
Molecular Weight3548.59 g/mol
Exact Mass3545.54
IUPAC Name6-[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
SMILESCC(C)(C)c1c2ccccc2c(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc23)c2ccccc12.CC(C)(C)c1cc(-c2c3ccccc3c(-c3cccc4c3oc3ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc34)c3ccccc23)cc(C(C)(C)C)c1.Cc1cccc(C)c1-c1c2ccccc2c(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc23)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3ccc4oc5c(-c6c7ccccc7c(C7C8CC9CC(C8)CC7C9)c7ccccc67)cccc5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5c(-c6c7ccccc7c(C7CCCCC7)c7ccccc67)cccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C60H48O.C56H42O.C54H36O.C52H38O.C50H36O/c1-59(2,3)40-33-39(34-41(36-40)60(4,5)6)56-46-25-14-16-27-48(46)57(49-28-17-15-26-47(49)56)51-30-18-29-50-52-35-38(31-32-53(52)61-58(50)51)55-44-23-12-10-21-42(44)54(37-19-8-7-9-20-37)43-22-11-13-24-45(43)55;1-2-13-35(14-3-1)52-39-15-4-6-17-41(39)53(42-18-7-5-16-40(42)52)36-25-26-50-49(32-36)47-23-12-24-48(56(47)57-50)54-43-19-8-10-21-45(43)55(46-22-11-9-20-44(46)54)51-37-28-33-27-34(30-37)31-38(51)29-33;1-33-16-14-17-34(2)49(33)53-43-26-12-10-24-41(43)52(42-25-11-13-27-44(42)53)46-29-15-28-45-47-32-36(30-31-48(47)55-54(45)46)51-39-22-8-6-20-37(39)50(35-18-4-3-5-19-35)38-21-7-9-23-40(38)51;1-3-16-33(17-4-1)48-36-20-7-9-22-38(36)50(39-23-10-8-21-37(39)48)35-30-31-47-46(32-35)44-28-15-29-45(52(44)53-47)51-42-26-13-11-24-40(42)49(34-18-5-2-6-19-34)41-25-12-14-27-43(41)51;1-50(2,3)48-39-24-13-11-22-37(39)47(38-23-12-14-25-40(38)48)42-27-15-26-41-43-30-32(28-29-44(43)51-49(41)42)46-35-20-9-7-18-33(35)45(31-16-5-4-6-17-31)34-19-8-10-21-36(34)46/h7-36H,1-6H3;1-26,32-34,37-38,51H,27-31H2;3-32H,1-2H3;1,3-4,7-17,20-32,34H,2,5-6,18-19H2;4-30H,1-3H3
InChIKeyGSPLSJZSYPHOPM-UHFFFAOYSA-N
XLogP78.43
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms277
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003548.59
LogP ≤ 578.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran
CID 58991734
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740
4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 154595944
6-[10-(2,3-dihydrothiophen-4-yl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 166689907
6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran
CID 130421072
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
6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176743305
4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 143811472
6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
CID 163477678

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1c2ccccc2c(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc23)c2ccccc12.CC(C)(C)c1cc(-c2c3ccccc3c(-c3cccc4c3oc3ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc34)c3ccccc23)cc(C(C)(C)C)c1.Cc1cccc(C)c1-c1c2ccccc2c(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc23)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3ccc4oc5c(-c6c7ccccc7c(C7C8CC9CC(C8)CC7C9)c7ccccc67)cccc5c4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5c(-c6c7ccccc7c(C7CCCCC7)c7ccccc67)cccc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is GSPLSJZSYPHOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48O.C56H42O.C54H36O.C52H38O.C50H36O/c1-59(2,3)40-33-39(34-41(36-40)60(4,5)6)56-46-25-14-16-27-48(46)57(49-28-17-15-26-47(49)56)51-30-18-29-50-52-35-38(31-32-53(52)61-58(50)51)55-44-23-12-10-21-42(44)54(37-19-8-7-9-20-37)43-22-11-13-24-45(43)55;1-2-13-35(14-3-1)52-39-15-4-6-17-41(39)53(42-18-7-5-16-40(42)52)36-25-26-50-49(32-36)47-23-12-24-48(56(47)57-50)54-43-19-8-10-21-45(43)55(46-22-11-9-20-44(46)54)51-37-28-33-27-34(30-37)31-38(51)29-33;1-33-16-14-17-34(2)49(33)53-43-26-12-10-24-41(43)52(42-25-11-13-27-44(42)53)46-29-15-28-45-47-32-36(30-31-48(47)55-54(45)46)51-39-22-8-6-20-37(39)50(35-18-4-3-5-19-35)38-21-7-9-23-40(38)51;1-3-16-33(17-4-1)48-36-20-7-9-22-38(36)50(39-23-10-8-21-37(39)48)35-30-31-47-46(32-35)44-28-15-29-45(52(44)53-47)51-42-26-13-11-24-40(42)49(34-18-5-2-6-19-34)41-25-12-14-27-43(41)51;1-50(2,3)48-39-24-13-11-22-37(39)47(38-23-12-14-25-40(38)48)42-27-15-26-41-43-30-32(28-29-44(43)51-49(41)42)46-35-20-9-7-18-33(35)45(31-16-5-4-6-17-31)34-19-8-10-21-36(34)46/h7-36H,1-6H3;1-26,32-34,37-38,51H,27-31H2;3-32H,1-2H3;1,3-4,7-17,20-32,34H,2,5-6,18-19H2;4-30H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 3548.59 g/mol, XLogP of 78.43, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158353564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).