1-[4-[3-[3-butyl-5-[3-[11-(trifluoromethyl)triphenylen-2-yl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene;3-[3-[4-[3-[3-(7-tert-butyltriphenylen-2-yl)-5-fluorophenyl]-5-fluorophenyl]phenyl]-5-dibenzofuran-4-ylphenyl]dibenzofuran;4-[3-cyclohexyl-5-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;[2-[3-[3-[3-cyclohexyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-4-[7-(3,5-dimethylphenyl)dibenzothiophen-2-yl]phenyl]-trimethylsilane

C266H195F5O2S3Si — CID 159371915

IUPAC1-[4-[3-[3-butyl-5-[3-[11-(trifluoromethyl)triphenylen-2-yl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene;3-[3-[4-[3-[3-(7-tert-butyltriphenylen-2-yl)-5-fluorophenyl]-5-fluorophenyl]phenyl]-5-dibenzofuran-4-ylphenyl]dibenzofuran;4-[3-cyclohexyl-5-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;[2-[3-[3-[3-cyclohexyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-4-[7-(3,5-dimethylphenyl)dibenzothiophen-2-yl]phenyl]-trimethylsilane
SMILESCC(C)(C)c1ccc2c3ccc(-c4cc(F)cc(-c5cc(F)cc(-c6ccc(-c7cc(-c8ccc9c(c8)oc8ccccc89)cc(-c8cccc9c8oc8ccccc89)c7)cc6)c5)c4)cc3c3ccccc3c2c1.CCCCc1cc(-c2cccc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)c2)cc(-c2cccc(-c3ccc4c5ccccc5c5ccc(C(F)(F)F)cc5c4c3)c2)c1.Cc1cc(C)cc(-c2ccc3c(c2)sc2ccc(-c4ccc([Si](C)(C)C)c(-c5cccc(-c6cccc(-c7cc(-c8cccc(-c9ccc%10c%11ccccc%11c%11ccccc%11c%10c9)c8)cc(C8CCCCC8)c7)c6)c5)c4)cc23)c1.c1cc(-c2cccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(C4CCCCC4)c3)c2)cc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)c1
InChIInChI=1S/C77H64SSi.C70H46F2O2.C60H44S.C59H41F3S/c1-49-36-50(2)38-62(37-49)60-29-33-71-74-47-58(30-34-75(74)78-76(71)48-60)59-31-35-77(79(3,4)5)72(45-59)61-23-15-20-54(41-61)52-18-13-21-55(39-52)64-42-63(51-16-7-6-8-17-51)43-65(44-64)56-22-14-19-53(40-56)57-28-32-70-68-26-10-9-24-66(68)67-25-11-12-27-69(67)73(70)46-57;1-70(2,3)52-25-28-59-58-26-23-43(38-64(58)56-11-4-5-12-57(56)65(59)40-52)48-31-50(37-54(72)35-48)49-30-47(34-53(71)36-49)42-21-19-41(20-22-42)45-29-46(44-24-27-62-60-13-6-8-17-66(60)73-68(62)39-44)33-51(32-45)55-15-10-16-63-61-14-7-9-18-67(61)74-69(55)63;1-2-14-39(15-3-1)47-35-48(37-49(36-47)50-27-13-28-57-56-26-8-9-29-59(56)61-60(50)57)45-21-12-19-43(34-45)41-17-10-16-40(32-41)42-18-11-20-44(33-42)46-30-31-55-53-24-5-4-22-51(53)52-23-6-7-25-54(52)58(55)38-46;1-2-3-11-37-30-45(42-14-8-12-40(32-42)38-22-24-39(25-23-38)48-19-10-21-57-58(48)53-18-6-7-20-56(53)63-57)34-46(31-37)43-15-9-13-41(33-43)44-26-28-51-49-16-4-5-17-50(49)52-29-27-47(59(60,61)62)36-55(52)54(51)35-44/h9-15,18-48,51H,6-8,16-17H2,1-5H3;4-40H,1-3H3;4-13,16-39H,1-3,14-15H2;4-10,12-36H,2-3,11H2,1H3
InChIKeyLJVUVPBPMUSKCI-UHFFFAOYSA-N
MW3642.76 g/mol
LogP79.02
Rot. Bonds29

About 1-[4-[3-[3-butyl-5-[3-[11-(trifluoromethyl)triphenylen-2-yl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene;3-[3-[4-[3-[3-(7-tert-butyltriphenylen-2-yl)-5-fluorophenyl]-5-fluorophenyl]phenyl]-5-dibenzofuran-4-ylphenyl]dibenzofuran;4-[3-cyclohexyl-5-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;[2-[3-[3-[3-cyclohexyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-4-[7-(3,5-dimethylphenyl)dibenzothiophen-2-yl]phenyl]-trimethylsilane

1-[4-[3-[3-butyl-5-[3-[11-(trifluoromethyl)triphenylen-2-yl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene;3-[3-[4-[3-[3-(7-tert-butyltriphenylen-2-yl)-5-fluorophenyl]-5-fluorophenyl]phenyl]-5-dibenzofuran-4-ylphenyl]dibenzofuran;4-[3-cyclohexyl-5-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;[2-[3-[3-[3-cyclohexyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-4-[7-(3,5-dimethylphenyl)dibenzothiophen-2-yl]phenyl]-trimethylsilane (PubChem CID 159371915) has the molecular formula C266H195F5O2S3Si and a molecular weight of 3642.76 g/mol. Its IUPAC name is 1-[4-[3-[3-butyl-5-[3-[11-(trifluoromethyl)triphenylen-2-yl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene;3-[3-[4-[3-[3-(7-tert-butyltriphenylen-2-yl)-5-fluorophenyl]-5-fluorophenyl]phenyl]-5-dibenzofuran-4-ylphenyl]dibenzofuran;4-[3-cyclohexyl-5-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;[2-[3-[3-[3-cyclohexyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-4-[7-(3,5-dimethylphenyl)dibenzothiophen-2-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name1-[4-[3-[3-butyl-5-[3-[11-(trifluoromethyl)triphenylen-2-yl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene;3-[3-[4-[3-[3-(7-tert-butyltriphenylen-2-yl)-5-fluorophenyl]-5-fluorophenyl]phenyl]-5-dibenzofuran-4-ylphenyl]dibenzofuran;4-[3-cyclohexyl-5-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;[2-[3-[3-[3-cyclohexyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-4-[7-(3,5-dimethylphenyl)dibenzothiophen-2-yl]phenyl]-trimethylsilane
PubChem CID159371915
Molecular FormulaC266H195F5O2S3Si
Molecular Weight3642.76 g/mol
Exact Mass3639.40
IUPAC Name1-[4-[3-[3-butyl-5-[3-[11-(trifluoromethyl)triphenylen-2-yl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene;3-[3-[4-[3-[3-(7-tert-butyltriphenylen-2-yl)-5-fluorophenyl]-5-fluorophenyl]phenyl]-5-dibenzofuran-4-ylphenyl]dibenzofuran;4-[3-cyclohexyl-5-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;[2-[3-[3-[3-cyclohexyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-4-[7-(3,5-dimethylphenyl)dibenzothiophen-2-yl]phenyl]-trimethylsilane
SMILESCC(C)(C)c1ccc2c3ccc(-c4cc(F)cc(-c5cc(F)cc(-c6ccc(-c7cc(-c8ccc9c(c8)oc8ccccc89)cc(-c8cccc9c8oc8ccccc89)c7)cc6)c5)c4)cc3c3ccccc3c2c1.CCCCc1cc(-c2cccc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)c2)cc(-c2cccc(-c3ccc4c5ccccc5c5ccc(C(F)(F)F)cc5c4c3)c2)c1.Cc1cc(C)cc(-c2ccc3c(c2)sc2ccc(-c4ccc([Si](C)(C)C)c(-c5cccc(-c6cccc(-c7cc(-c8cccc(-c9ccc%10c%11ccccc%11c%11ccccc%11c%10c9)c8)cc(C8CCCCC8)c7)c6)c5)c4)cc23)c1.c1cc(-c2cccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(C4CCCCC4)c3)c2)cc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)c1
InChIInChI=1S/C77H64SSi.C70H46F2O2.C60H44S.C59H41F3S/c1-49-36-50(2)38-62(37-49)60-29-33-71-74-47-58(30-34-75(74)78-76(71)48-60)59-31-35-77(79(3,4)5)72(45-59)61-23-15-20-54(41-61)52-18-13-21-55(39-52)64-42-63(51-16-7-6-8-17-51)43-65(44-64)56-22-14-19-53(40-56)57-28-32-70-68-26-10-9-24-66(68)67-25-11-12-27-69(67)73(70)46-57;1-70(2,3)52-25-28-59-58-26-23-43(38-64(58)56-11-4-5-12-57(56)65(59)40-52)48-31-50(37-54(72)35-48)49-30-47(34-53(71)36-49)42-21-19-41(20-22-42)45-29-46(44-24-27-62-60-13-6-8-17-66(60)73-68(62)39-44)33-51(32-45)55-15-10-16-63-61-14-7-9-18-67(61)74-69(55)63;1-2-14-39(15-3-1)47-35-48(37-49(36-47)50-27-13-28-57-56-26-8-9-29-59(56)61-60(50)57)45-21-12-19-43(34-45)41-17-10-16-40(32-41)42-18-11-20-44(33-42)46-30-31-55-53-24-5-4-22-51(53)52-23-6-7-25-54(52)58(55)38-46;1-2-3-11-37-30-45(42-14-8-12-40(32-42)38-22-24-39(25-23-38)48-19-10-21-57-58(48)53-18-6-7-20-56(53)63-57)34-46(31-37)43-15-9-13-41(33-43)44-26-28-51-49-16-4-5-17-50(49)52-29-27-47(59(60,61)62)36-55(52)54(51)35-44/h9-15,18-48,51H,6-8,16-17H2,1-5H3;4-40H,1-3H3;4-13,16-39H,1-3,14-15H2;4-10,12-36H,2-3,11H2,1H3
InChIKeyLJVUVPBPMUSKCI-UHFFFAOYSA-N
XLogP79.02
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds29
Heavy Atoms277
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003642.76
LogP ≤ 579.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[3-[3-butyl-5-[3-[11-(trifluoromethyl)triphenylen-2-yl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene;3-[3-[4-[3-[3-(7-tert-butyltriphenylen-2-yl)-5-fluorophenyl]-5-fluorophenyl]phenyl]-5-dibenzofuran-4-ylphenyl]dibenzofuran;4-[3-cyclohexyl-5-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;[2-[3-[3-[3-cyclohexyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-4-[7-(3,5-dimethylphenyl)dibenzothiophen-2-yl]phenyl]-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[3-butyl-5-[3-[11-(trifluoromethyl)triphenylen-2-yl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene;3-[3-[4-[3-[3-(7-tert-butyltriphenylen-2-yl)-5-fluorophenyl]-5-fluorophenyl]phenyl]-5-dibenzofuran-4-ylphenyl]dibenzofuran;4-[3-cyclohexyl-5-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;[2-[3-[3-[3-cyclohexyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-4-[7-(3,5-dimethylphenyl)dibenzothiophen-2-yl]phenyl]-trimethylsilane?
The IUPAC name of 1-[4-[3-[3-butyl-5-[3-[11-(trifluoromethyl)triphenylen-2-yl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene;3-[3-[4-[3-[3-(7-tert-butyltriphenylen-2-yl)-5-fluorophenyl]-5-fluorophenyl]phenyl]-5-dibenzofuran-4-ylphenyl]dibenzofuran;4-[3-cyclohexyl-5-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;[2-[3-[3-[3-cyclohexyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-4-[7-(3,5-dimethylphenyl)dibenzothiophen-2-yl]phenyl]-trimethylsilane (CID 159371915) is 1-[4-[3-[3-butyl-5-[3-[11-(trifluoromethyl)triphenylen-2-yl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene;3-[3-[4-[3-[3-(7-tert-butyltriphenylen-2-yl)-5-fluorophenyl]-5-fluorophenyl]phenyl]-5-dibenzofuran-4-ylphenyl]dibenzofuran;4-[3-cyclohexyl-5-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;[2-[3-[3-[3-cyclohexyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-4-[7-(3,5-dimethylphenyl)dibenzothiophen-2-yl]phenyl]-trimethylsilane.
What is the SMILES notation for 1-[4-[3-[3-butyl-5-[3-[11-(trifluoromethyl)triphenylen-2-yl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene;3-[3-[4-[3-[3-(7-tert-butyltriphenylen-2-yl)-5-fluorophenyl]-5-fluorophenyl]phenyl]-5-dibenzofuran-4-ylphenyl]dibenzofuran;4-[3-cyclohexyl-5-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;[2-[3-[3-[3-cyclohexyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-4-[7-(3,5-dimethylphenyl)dibenzothiophen-2-yl]phenyl]-trimethylsilane?
The canonical SMILES for 1-[4-[3-[3-butyl-5-[3-[11-(trifluoromethyl)triphenylen-2-yl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene;3-[3-[4-[3-[3-(7-tert-butyltriphenylen-2-yl)-5-fluorophenyl]-5-fluorophenyl]phenyl]-5-dibenzofuran-4-ylphenyl]dibenzofuran;4-[3-cyclohexyl-5-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;[2-[3-[3-[3-cyclohexyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-4-[7-(3,5-dimethylphenyl)dibenzothiophen-2-yl]phenyl]-trimethylsilane is CC(C)(C)c1ccc2c3ccc(-c4cc(F)cc(-c5cc(F)cc(-c6ccc(-c7cc(-c8ccc9c(c8)oc8ccccc89)cc(-c8cccc9c8oc8ccccc89)c7)cc6)c5)c4)cc3c3ccccc3c2c1.CCCCc1cc(-c2cccc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)c2)cc(-c2cccc(-c3ccc4c5ccccc5c5ccc(C(F)(F)F)cc5c4c3)c2)c1.Cc1cc(C)cc(-c2ccc3c(c2)sc2ccc(-c4ccc([Si](C)(C)C)c(-c5cccc(-c6cccc(-c7cc(-c8cccc(-c9ccc%10c%11ccccc%11c%11ccccc%11c%10c9)c8)cc(C8CCCCC8)c7)c6)c5)c4)cc23)c1.c1cc(-c2cccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(C4CCCCC4)c3)c2)cc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)c1.
What is the InChIKey of 1-[4-[3-[3-butyl-5-[3-[11-(trifluoromethyl)triphenylen-2-yl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene;3-[3-[4-[3-[3-(7-tert-butyltriphenylen-2-yl)-5-fluorophenyl]-5-fluorophenyl]phenyl]-5-dibenzofuran-4-ylphenyl]dibenzofuran;4-[3-cyclohexyl-5-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;[2-[3-[3-[3-cyclohexyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-4-[7-(3,5-dimethylphenyl)dibenzothiophen-2-yl]phenyl]-trimethylsilane?
The InChIKey is LJVUVPBPMUSKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H64SSi.C70H46F2O2.C60H44S.C59H41F3S/c1-49-36-50(2)38-62(37-49)60-29-33-71-74-47-58(30-34-75(74)78-76(71)48-60)59-31-35-77(79(3,4)5)72(45-59)61-23-15-20-54(41-61)52-18-13-21-55(39-52)64-42-63(51-16-7-6-8-17-51)43-65(44-64)56-22-14-19-53(40-56)57-28-32-70-68-26-10-9-24-66(68)67-25-11-12-27-69(67)73(70)46-57;1-70(2,3)52-25-28-59-58-26-23-43(38-64(58)56-11-4-5-12-57(56)65(59)40-52)48-31-50(37-54(72)35-48)49-30-47(34-53(71)36-49)42-21-19-41(20-22-42)45-29-46(44-24-27-62-60-13-6-8-17-66(60)73-68(62)39-44)33-51(32-45)55-15-10-16-63-61-14-7-9-18-67(61)74-69(55)63;1-2-14-39(15-3-1)47-35-48(37-49(36-47)50-27-13-28-57-56-26-8-9-29-59(56)61-60(50)57)45-21-12-19-43(34-45)41-17-10-16-40(32-41)42-18-11-20-44(33-42)46-30-31-55-53-24-5-4-22-51(53)52-23-6-7-25-54(52)58(55)38-46;1-2-3-11-37-30-45(42-14-8-12-40(32-42)38-22-24-39(25-23-38)48-19-10-21-57-58(48)53-18-6-7-20-56(53)63-57)34-46(31-37)43-15-9-13-41(33-43)44-26-28-51-49-16-4-5-17-50(49)52-29-27-47(59(60,61)62)36-55(52)54(51)35-44/h9-15,18-48,51H,6-8,16-17H2,1-5H3;4-40H,1-3H3;4-13,16-39H,1-3,14-15H2;4-10,12-36H,2-3,11H2,1H3.
What are the key properties of 1-[4-[3-[3-butyl-5-[3-[11-(trifluoromethyl)triphenylen-2-yl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene;3-[3-[4-[3-[3-(7-tert-butyltriphenylen-2-yl)-5-fluorophenyl]-5-fluorophenyl]phenyl]-5-dibenzofuran-4-ylphenyl]dibenzofuran;4-[3-cyclohexyl-5-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;[2-[3-[3-[3-cyclohexyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-4-[7-(3,5-dimethylphenyl)dibenzothiophen-2-yl]phenyl]-trimethylsilane?
1-[4-[3-[3-butyl-5-[3-[11-(trifluoromethyl)triphenylen-2-yl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene;3-[3-[4-[3-[3-(7-tert-butyltriphenylen-2-yl)-5-fluorophenyl]-5-fluorophenyl]phenyl]-5-dibenzofuran-4-ylphenyl]dibenzofuran;4-[3-cyclohexyl-5-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;[2-[3-[3-[3-cyclohexyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-4-[7-(3,5-dimethylphenyl)dibenzothiophen-2-yl]phenyl]-trimethylsilane has a molecular weight of 3642.76 g/mol, XLogP of 79.02, 29 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[3-butyl-5-[3-[11-(trifluoromethyl)triphenylen-2-yl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene;3-[3-[4-[3-[3-(7-tert-butyltriphenylen-2-yl)-5-fluorophenyl]-5-fluorophenyl]phenyl]-5-dibenzofuran-4-ylphenyl]dibenzofuran;4-[3-cyclohexyl-5-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;[2-[3-[3-[3-cyclohexyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-4-[7-(3,5-dimethylphenyl)dibenzothiophen-2-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 159371915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).