[3-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-5-triphenylen-2-ylphenyl]-trimethylsilane;4-ethyl-6-[2-(trifluoromethyl)-4-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene;3-[3-[3-[3-(10-ethyltriphenylen-2-yl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]dibenzofuran;2-[3-fluoro-5-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzofuran;3-[3-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]-5-phenylphenyl]dibenzothiophene

C255H165F9O2S3Si — CID 158197105

IUPAC[3-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-5-triphenylen-2-ylphenyl]-trimethylsilane;4-ethyl-6-[2-(trifluoromethyl)-4-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene;3-[3-[3-[3-(10-ethyltriphenylen-2-yl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]dibenzofuran;2-[3-fluoro-5-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzofuran;3-[3-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]-5-phenylphenyl]dibenzothiophene
SMILESCCc1ccc2c(c1)c1ccccc1c1ccc(-c3cccc(-c4cc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)cc(C(F)(F)F)c4)c3)cc12.CCc1cccc2c1sc1c(-c3ccc(-c4cccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4)cc3C(F)(F)F)cccc12.C[Si](C)(C)c1cc(-c2ccc(-c3cccc(-c4ccc5c(c4)sc4ccccc45)c3)cc2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.Fc1cc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccc5c(c4)sc4ccccc45)c3)cc2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.Fc1cc(-c2ccc(-c3cc(F)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc2)cc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C54H33FS.C51H33F3O.C51H33F3S.C51H38SSi.C48H28F2O/c55-44-30-42(29-43(31-44)37-22-24-49-47-14-5-4-12-45(47)46-13-6-7-15-48(46)52(49)32-37)36-20-18-35(19-21-36)40-26-39(34-10-2-1-3-11-34)27-41(28-40)38-23-25-51-50-16-8-9-17-53(50)56-54(51)33-38;1-2-31-17-20-44-47(23-31)42-14-4-3-13-41(42)43-21-18-36(29-48(43)44)32-9-7-11-34(24-32)38-26-39(28-40(27-38)51(52,53)54)35-12-8-10-33(25-35)37-19-22-46-45-15-5-6-16-49(45)55-50(46)30-37;1-2-31-11-9-20-45-46-22-10-21-44(50(46)55-49(31)45)43-26-24-37(30-48(43)51(52,53)54)35-15-8-13-33(28-35)32-12-7-14-34(27-32)36-23-25-42-40-18-4-3-16-38(40)39-17-5-6-19-41(39)47(42)29-36;1-53(2,3)41-29-39(28-40(30-41)37-23-25-46-44-15-5-4-13-42(44)43-14-6-7-16-45(43)49(46)31-37)34-21-19-33(20-22-34)35-11-10-12-36(27-35)38-24-26-48-47-17-8-9-18-50(47)52-51(48)32-38;49-37-23-33(21-35(25-37)31-17-19-43-41-9-2-1-7-39(41)40-8-3-4-10-42(40)45(43)27-31)29-13-15-30(16-14-29)34-22-36(26-38(50)24-34)32-18-20-48-46(28-32)44-11-5-6-12-47(44)51-48/h1-33H;2*3-30H,2H2,1H3;4-32H,1-3H3;1-28H
InChIKeyGALXNKKYBSHLSF-UHFFFAOYSA-N
MW3556.39 g/mol
LogP75.77
Rot. Bonds24

About [3-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-5-triphenylen-2-ylphenyl]-trimethylsilane;4-ethyl-6-[2-(trifluoromethyl)-4-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene;3-[3-[3-[3-(10-ethyltriphenylen-2-yl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]dibenzofuran;2-[3-fluoro-5-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzofuran;3-[3-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]-5-phenylphenyl]dibenzothiophene

[3-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-5-triphenylen-2-ylphenyl]-trimethylsilane;4-ethyl-6-[2-(trifluoromethyl)-4-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene;3-[3-[3-[3-(10-ethyltriphenylen-2-yl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]dibenzofuran;2-[3-fluoro-5-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzofuran;3-[3-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]-5-phenylphenyl]dibenzothiophene (PubChem CID 158197105) has the molecular formula C255H165F9O2S3Si and a molecular weight of 3556.39 g/mol. Its IUPAC name is [3-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-5-triphenylen-2-ylphenyl]-trimethylsilane;4-ethyl-6-[2-(trifluoromethyl)-4-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene;3-[3-[3-[3-(10-ethyltriphenylen-2-yl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]dibenzofuran;2-[3-fluoro-5-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzofuran;3-[3-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]-5-phenylphenyl]dibenzothiophene.

Molecular Properties

Compound Name[3-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-5-triphenylen-2-ylphenyl]-trimethylsilane;4-ethyl-6-[2-(trifluoromethyl)-4-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene;3-[3-[3-[3-(10-ethyltriphenylen-2-yl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]dibenzofuran;2-[3-fluoro-5-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzofuran;3-[3-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]-5-phenylphenyl]dibenzothiophene
PubChem CID158197105
Molecular FormulaC255H165F9O2S3Si
Molecular Weight3556.39 g/mol
Exact Mass3553.16
IUPAC Name[3-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-5-triphenylen-2-ylphenyl]-trimethylsilane;4-ethyl-6-[2-(trifluoromethyl)-4-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene;3-[3-[3-[3-(10-ethyltriphenylen-2-yl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]dibenzofuran;2-[3-fluoro-5-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzofuran;3-[3-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]-5-phenylphenyl]dibenzothiophene
SMILESCCc1ccc2c(c1)c1ccccc1c1ccc(-c3cccc(-c4cc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)cc(C(F)(F)F)c4)c3)cc12.CCc1cccc2c1sc1c(-c3ccc(-c4cccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4)cc3C(F)(F)F)cccc12.C[Si](C)(C)c1cc(-c2ccc(-c3cccc(-c4ccc5c(c4)sc4ccccc45)c3)cc2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.Fc1cc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccc5c(c4)sc4ccccc45)c3)cc2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.Fc1cc(-c2ccc(-c3cc(F)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc2)cc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C54H33FS.C51H33F3O.C51H33F3S.C51H38SSi.C48H28F2O/c55-44-30-42(29-43(31-44)37-22-24-49-47-14-5-4-12-45(47)46-13-6-7-15-48(46)52(49)32-37)36-20-18-35(19-21-36)40-26-39(34-10-2-1-3-11-34)27-41(28-40)38-23-25-51-50-16-8-9-17-53(50)56-54(51)33-38;1-2-31-17-20-44-47(23-31)42-14-4-3-13-41(42)43-21-18-36(29-48(43)44)32-9-7-11-34(24-32)38-26-39(28-40(27-38)51(52,53)54)35-12-8-10-33(25-35)37-19-22-46-45-15-5-6-16-49(45)55-50(46)30-37;1-2-31-11-9-20-45-46-22-10-21-44(50(46)55-49(31)45)43-26-24-37(30-48(43)51(52,53)54)35-15-8-13-33(28-35)32-12-7-14-34(27-32)36-23-25-42-40-18-4-3-16-38(40)39-17-5-6-19-41(39)47(42)29-36;1-53(2,3)41-29-39(28-40(30-41)37-23-25-46-44-15-5-4-13-42(44)43-14-6-7-16-45(43)49(46)31-37)34-21-19-33(20-22-34)35-11-10-12-36(27-35)38-24-26-48-47-17-8-9-18-50(47)52-51(48)32-38;49-37-23-33(21-35(25-37)31-17-19-43-41-9-2-1-7-39(41)40-8-3-4-10-42(40)45(43)27-31)29-13-15-30(16-14-29)34-22-36(26-38(50)24-34)32-18-20-48-46(28-32)44-11-5-6-12-47(44)51-48/h1-33H;2*3-30H,2H2,1H3;4-32H,1-3H3;1-28H
InChIKeyGALXNKKYBSHLSF-UHFFFAOYSA-N
XLogP75.77
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms270
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003556.39
LogP ≤ 575.77
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 [3-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-5-triphenylen-2-ylphenyl]-trimethylsilane;4-ethyl-6-[2-(trifluoromethyl)-4-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene;3-[3-[3-[3-(10-ethyltriphenylen-2-yl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]dibenzofuran;2-[3-fluoro-5-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzofuran;3-[3-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]-5-phenylphenyl]dibenzothiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-5-triphenylen-2-ylphenyl]-trimethylsilane;4-ethyl-6-[2-(trifluoromethyl)-4-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene;3-[3-[3-[3-(10-ethyltriphenylen-2-yl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]dibenzofuran;2-[3-fluoro-5-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzofuran;3-[3-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]-5-phenylphenyl]dibenzothiophene?
The IUPAC name of [3-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-5-triphenylen-2-ylphenyl]-trimethylsilane;4-ethyl-6-[2-(trifluoromethyl)-4-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene;3-[3-[3-[3-(10-ethyltriphenylen-2-yl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]dibenzofuran;2-[3-fluoro-5-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzofuran;3-[3-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]-5-phenylphenyl]dibenzothiophene (CID 158197105) is [3-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-5-triphenylen-2-ylphenyl]-trimethylsilane;4-ethyl-6-[2-(trifluoromethyl)-4-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene;3-[3-[3-[3-(10-ethyltriphenylen-2-yl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]dibenzofuran;2-[3-fluoro-5-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzofuran;3-[3-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]-5-phenylphenyl]dibenzothiophene.
What is the SMILES notation for [3-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-5-triphenylen-2-ylphenyl]-trimethylsilane;4-ethyl-6-[2-(trifluoromethyl)-4-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene;3-[3-[3-[3-(10-ethyltriphenylen-2-yl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]dibenzofuran;2-[3-fluoro-5-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzofuran;3-[3-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]-5-phenylphenyl]dibenzothiophene?
The canonical SMILES for [3-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-5-triphenylen-2-ylphenyl]-trimethylsilane;4-ethyl-6-[2-(trifluoromethyl)-4-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene;3-[3-[3-[3-(10-ethyltriphenylen-2-yl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]dibenzofuran;2-[3-fluoro-5-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzofuran;3-[3-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]-5-phenylphenyl]dibenzothiophene is CCc1ccc2c(c1)c1ccccc1c1ccc(-c3cccc(-c4cc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)cc(C(F)(F)F)c4)c3)cc12.CCc1cccc2c1sc1c(-c3ccc(-c4cccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4)cc3C(F)(F)F)cccc12.C[Si](C)(C)c1cc(-c2ccc(-c3cccc(-c4ccc5c(c4)sc4ccccc45)c3)cc2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.Fc1cc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccc5c(c4)sc4ccccc45)c3)cc2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.Fc1cc(-c2ccc(-c3cc(F)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc2)cc(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of [3-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-5-triphenylen-2-ylphenyl]-trimethylsilane;4-ethyl-6-[2-(trifluoromethyl)-4-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene;3-[3-[3-[3-(10-ethyltriphenylen-2-yl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]dibenzofuran;2-[3-fluoro-5-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzofuran;3-[3-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]-5-phenylphenyl]dibenzothiophene?
The InChIKey is GALXNKKYBSHLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33FS.C51H33F3O.C51H33F3S.C51H38SSi.C48H28F2O/c55-44-30-42(29-43(31-44)37-22-24-49-47-14-5-4-12-45(47)46-13-6-7-15-48(46)52(49)32-37)36-20-18-35(19-21-36)40-26-39(34-10-2-1-3-11-34)27-41(28-40)38-23-25-51-50-16-8-9-17-53(50)56-54(51)33-38;1-2-31-17-20-44-47(23-31)42-14-4-3-13-41(42)43-21-18-36(29-48(43)44)32-9-7-11-34(24-32)38-26-39(28-40(27-38)51(52,53)54)35-12-8-10-33(25-35)37-19-22-46-45-15-5-6-16-49(45)55-50(46)30-37;1-2-31-11-9-20-45-46-22-10-21-44(50(46)55-49(31)45)43-26-24-37(30-48(43)51(52,53)54)35-15-8-13-33(28-35)32-12-7-14-34(27-32)36-23-25-42-40-18-4-3-16-38(40)39-17-5-6-19-41(39)47(42)29-36;1-53(2,3)41-29-39(28-40(30-41)37-23-25-46-44-15-5-4-13-42(44)43-14-6-7-16-45(43)49(46)31-37)34-21-19-33(20-22-34)35-11-10-12-36(27-35)38-24-26-48-47-17-8-9-18-50(47)52-51(48)32-38;49-37-23-33(21-35(25-37)31-17-19-43-41-9-2-1-7-39(41)40-8-3-4-10-42(40)45(43)27-31)29-13-15-30(16-14-29)34-22-36(26-38(50)24-34)32-18-20-48-46(28-32)44-11-5-6-12-47(44)51-48/h1-33H;2*3-30H,2H2,1H3;4-32H,1-3H3;1-28H.
What are the key properties of [3-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-5-triphenylen-2-ylphenyl]-trimethylsilane;4-ethyl-6-[2-(trifluoromethyl)-4-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene;3-[3-[3-[3-(10-ethyltriphenylen-2-yl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]dibenzofuran;2-[3-fluoro-5-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzofuran;3-[3-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]-5-phenylphenyl]dibenzothiophene?
[3-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-5-triphenylen-2-ylphenyl]-trimethylsilane;4-ethyl-6-[2-(trifluoromethyl)-4-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene;3-[3-[3-[3-(10-ethyltriphenylen-2-yl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]dibenzofuran;2-[3-fluoro-5-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzofuran;3-[3-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]-5-phenylphenyl]dibenzothiophene has a molecular weight of 3556.39 g/mol, XLogP of 75.77, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-5-triphenylen-2-ylphenyl]-trimethylsilane;4-ethyl-6-[2-(trifluoromethyl)-4-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene;3-[3-[3-[3-(10-ethyltriphenylen-2-yl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]dibenzofuran;2-[3-fluoro-5-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzofuran;3-[3-[4-(3-fluoro-5-triphenylen-2-ylphenyl)phenyl]-5-phenylphenyl]dibenzothiophene is sourced from PubChem (CID 158197105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).