bis(4-dibenzothiophen-4-ylphenyl)-phenyl-(4-triphenylen-2-ylphenyl)silane;3-tert-butyl-7-[3-[difluoro-(4-triphenylen-2-ylphenyl)methyl]phenyl]dibenzofuran;4-[4-[3-cyclohexyl-5-[3-(3-methyl-4-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran;3-[4-[3-cyclopentyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene

C227H160F2O2S3Si — CID 161457103

IUPACbis(4-dibenzothiophen-4-ylphenyl)-phenyl-(4-triphenylen-2-ylphenyl)silane;3-tert-butyl-7-[3-[difluoro-(4-triphenylen-2-ylphenyl)methyl]phenyl]dibenzofuran;4-[4-[3-cyclohexyl-5-[3-(3-methyl-4-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran;3-[4-[3-cyclopentyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene
SMILESCC(C)(C)c1ccc2c(c1)oc1cc(-c3cccc(C(F)(F)c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c3)ccc12.Cc1cc(-c2cccc(-c3cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc(C4CCCCC4)c3)c2)ccc1-c1ccc2c3ccccc3c3ccccc3c2c1.c1cc(-c2cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)cc(C3CCCC3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc([Si](c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C66H42S2Si.C61H46O.C53H38S.C47H34F2O/c1-2-14-47(15-3-1)69(49-37-30-44(31-38-49)51-22-12-24-60-58-20-8-10-26-63(58)67-65(51)60,50-39-32-45(33-40-50)52-23-13-25-61-59-21-9-11-27-64(59)68-66(52)61)48-35-28-43(29-36-48)46-34-41-57-55-18-5-4-16-53(55)54-17-6-7-19-56(54)62(57)42-46;1-39-33-45(29-31-50(39)46-30-32-56-54-19-6-5-17-52(54)53-18-7-8-20-55(53)59(56)38-46)43-15-11-16-44(34-43)49-36-47(40-13-3-2-4-14-40)35-48(37-49)41-25-27-42(28-26-41)51-22-12-23-58-57-21-9-10-24-60(57)62-61(51)58;1-2-11-34(10-1)41-29-42(36-22-20-35(21-23-36)40-25-27-50-49-18-7-8-19-52(49)54-53(50)33-40)31-43(30-41)38-13-9-12-37(28-38)39-24-26-48-46-16-4-3-14-44(46)45-15-5-6-17-47(45)51(48)32-39;1-46(2,3)34-21-24-42-41-23-18-32(27-44(41)50-45(42)28-34)30-9-8-10-35(25-30)47(48,49)33-19-15-29(16-20-33)31-17-22-40-38-13-5-4-11-36(38)37-12-6-7-14-39(37)43(40)26-31/h1-42H;5-12,15-38,40H,2-4,13-14H2,1H3;3-9,12-34H,1-2,10-11H2;4-28H,1-3H3
InChIKeyWBHJHHIBUHNDGJ-UHFFFAOYSA-N
MW3082.06 g/mol
LogP63.65
Rot. Bonds22

About bis(4-dibenzothiophen-4-ylphenyl)-phenyl-(4-triphenylen-2-ylphenyl)silane;3-tert-butyl-7-[3-[difluoro-(4-triphenylen-2-ylphenyl)methyl]phenyl]dibenzofuran;4-[4-[3-cyclohexyl-5-[3-(3-methyl-4-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran;3-[4-[3-cyclopentyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene

bis(4-dibenzothiophen-4-ylphenyl)-phenyl-(4-triphenylen-2-ylphenyl)silane;3-tert-butyl-7-[3-[difluoro-(4-triphenylen-2-ylphenyl)methyl]phenyl]dibenzofuran;4-[4-[3-cyclohexyl-5-[3-(3-methyl-4-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran;3-[4-[3-cyclopentyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene (PubChem CID 161457103) has the molecular formula C227H160F2O2S3Si and a molecular weight of 3082.06 g/mol. Its IUPAC name is bis(4-dibenzothiophen-4-ylphenyl)-phenyl-(4-triphenylen-2-ylphenyl)silane;3-tert-butyl-7-[3-[difluoro-(4-triphenylen-2-ylphenyl)methyl]phenyl]dibenzofuran;4-[4-[3-cyclohexyl-5-[3-(3-methyl-4-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran;3-[4-[3-cyclopentyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene.

Molecular Properties

Compound Namebis(4-dibenzothiophen-4-ylphenyl)-phenyl-(4-triphenylen-2-ylphenyl)silane;3-tert-butyl-7-[3-[difluoro-(4-triphenylen-2-ylphenyl)methyl]phenyl]dibenzofuran;4-[4-[3-cyclohexyl-5-[3-(3-methyl-4-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran;3-[4-[3-cyclopentyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene
PubChem CID161457103
Molecular FormulaC227H160F2O2S3Si
Molecular Weight3082.06 g/mol
Exact Mass3079.13
IUPAC Namebis(4-dibenzothiophen-4-ylphenyl)-phenyl-(4-triphenylen-2-ylphenyl)silane;3-tert-butyl-7-[3-[difluoro-(4-triphenylen-2-ylphenyl)methyl]phenyl]dibenzofuran;4-[4-[3-cyclohexyl-5-[3-(3-methyl-4-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran;3-[4-[3-cyclopentyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene
SMILESCC(C)(C)c1ccc2c(c1)oc1cc(-c3cccc(C(F)(F)c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c3)ccc12.Cc1cc(-c2cccc(-c3cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc(C4CCCCC4)c3)c2)ccc1-c1ccc2c3ccccc3c3ccccc3c2c1.c1cc(-c2cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)cc(C3CCCC3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc([Si](c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C66H42S2Si.C61H46O.C53H38S.C47H34F2O/c1-2-14-47(15-3-1)69(49-37-30-44(31-38-49)51-22-12-24-60-58-20-8-10-26-63(58)67-65(51)60,50-39-32-45(33-40-50)52-23-13-25-61-59-21-9-11-27-64(59)68-66(52)61)48-35-28-43(29-36-48)46-34-41-57-55-18-5-4-16-53(55)54-17-6-7-19-56(54)62(57)42-46;1-39-33-45(29-31-50(39)46-30-32-56-54-19-6-5-17-52(54)53-18-7-8-20-55(53)59(56)38-46)43-15-11-16-44(34-43)49-36-47(40-13-3-2-4-14-40)35-48(37-49)41-25-27-42(28-26-41)51-22-12-23-58-57-21-9-10-24-60(57)62-61(51)58;1-2-11-34(10-1)41-29-42(36-22-20-35(21-23-36)40-25-27-50-49-18-7-8-19-52(49)54-53(50)33-40)31-43(30-41)38-13-9-12-37(28-38)39-24-26-48-46-16-4-3-14-44(46)45-15-5-6-17-47(45)51(48)32-39;1-46(2,3)34-21-24-42-41-23-18-32(27-44(41)50-45(42)28-34)30-9-8-10-35(25-30)47(48,49)33-19-15-29(16-20-33)31-17-22-40-38-13-5-4-11-36(38)37-12-6-7-14-39(37)43(40)26-31/h1-42H;5-12,15-38,40H,2-4,13-14H2,1H3;3-9,12-34H,1-2,10-11H2;4-28H,1-3H3
InChIKeyWBHJHHIBUHNDGJ-UHFFFAOYSA-N
XLogP63.65
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms235
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003082.06
LogP ≤ 563.65
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze bis(4-dibenzothiophen-4-ylphenyl)-phenyl-(4-triphenylen-2-ylphenyl)silane;3-tert-butyl-7-[3-[difluoro-(4-triphenylen-2-ylphenyl)methyl]phenyl]dibenzofuran;4-[4-[3-cyclohexyl-5-[3-(3-methyl-4-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran;3-[4-[3-cyclopentyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[15-(3,4-Difluorophenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl]dibenzofuran
CID 89516451
1-[6-[2-Tert-butyl-4,8-bis[5-(2-ethylhexyl)furan-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-3-fluoro-4-propan-2-ylthieno[3,4-b]thiophen-2-yl]decan-1-one
CID 118258901
1-[6-[4,8-Bis(5-methylfuran-2-yl)-6-phenylthieno[2,3-f][1]benzothiol-2-yl]-3-fluoro-4-phenylthieno[3,4-b]thiophen-2-yl]ethanone
CID 118314859
[7,21-Bis(3,5-difluorophenyl)-27-(trimethyl-lambda4-sulfanyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaen-13-yl]-trimethyl-lambda4-sulfane
CID 130328828
6,18-Difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 135242828
CID 135242829
CID 135242829
CID 135242835
CID 135242835
7,19-Difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 135242838
CID 135243468
CID 135243468
CID 135243470
CID 135243470
6-Methyl-3-[4-methyl-6-(trifluoromethoxy)dibenzothiophen-3-yl]-4-(trifluoromethyl)dibenzofuran
CID 138651743
15-(3-Fluorophenyl)-12,18-dinaphthalen-2-yl-15-phenyl-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 145743473

Frequently Asked Questions

What is the IUPAC name of bis(4-dibenzothiophen-4-ylphenyl)-phenyl-(4-triphenylen-2-ylphenyl)silane;3-tert-butyl-7-[3-[difluoro-(4-triphenylen-2-ylphenyl)methyl]phenyl]dibenzofuran;4-[4-[3-cyclohexyl-5-[3-(3-methyl-4-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran;3-[4-[3-cyclopentyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene?
The IUPAC name of bis(4-dibenzothiophen-4-ylphenyl)-phenyl-(4-triphenylen-2-ylphenyl)silane;3-tert-butyl-7-[3-[difluoro-(4-triphenylen-2-ylphenyl)methyl]phenyl]dibenzofuran;4-[4-[3-cyclohexyl-5-[3-(3-methyl-4-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran;3-[4-[3-cyclopentyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene (CID 161457103) is bis(4-dibenzothiophen-4-ylphenyl)-phenyl-(4-triphenylen-2-ylphenyl)silane;3-tert-butyl-7-[3-[difluoro-(4-triphenylen-2-ylphenyl)methyl]phenyl]dibenzofuran;4-[4-[3-cyclohexyl-5-[3-(3-methyl-4-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran;3-[4-[3-cyclopentyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene.
What is the SMILES notation for bis(4-dibenzothiophen-4-ylphenyl)-phenyl-(4-triphenylen-2-ylphenyl)silane;3-tert-butyl-7-[3-[difluoro-(4-triphenylen-2-ylphenyl)methyl]phenyl]dibenzofuran;4-[4-[3-cyclohexyl-5-[3-(3-methyl-4-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran;3-[4-[3-cyclopentyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene?
The canonical SMILES for bis(4-dibenzothiophen-4-ylphenyl)-phenyl-(4-triphenylen-2-ylphenyl)silane;3-tert-butyl-7-[3-[difluoro-(4-triphenylen-2-ylphenyl)methyl]phenyl]dibenzofuran;4-[4-[3-cyclohexyl-5-[3-(3-methyl-4-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran;3-[4-[3-cyclopentyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene is CC(C)(C)c1ccc2c(c1)oc1cc(-c3cccc(C(F)(F)c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c3)ccc12.Cc1cc(-c2cccc(-c3cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc(C4CCCCC4)c3)c2)ccc1-c1ccc2c3ccccc3c3ccccc3c2c1.c1cc(-c2cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)cc(C3CCCC3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc([Si](c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of bis(4-dibenzothiophen-4-ylphenyl)-phenyl-(4-triphenylen-2-ylphenyl)silane;3-tert-butyl-7-[3-[difluoro-(4-triphenylen-2-ylphenyl)methyl]phenyl]dibenzofuran;4-[4-[3-cyclohexyl-5-[3-(3-methyl-4-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran;3-[4-[3-cyclopentyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene?
The InChIKey is WBHJHHIBUHNDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42S2Si.C61H46O.C53H38S.C47H34F2O/c1-2-14-47(15-3-1)69(49-37-30-44(31-38-49)51-22-12-24-60-58-20-8-10-26-63(58)67-65(51)60,50-39-32-45(33-40-50)52-23-13-25-61-59-21-9-11-27-64(59)68-66(52)61)48-35-28-43(29-36-48)46-34-41-57-55-18-5-4-16-53(55)54-17-6-7-19-56(54)62(57)42-46;1-39-33-45(29-31-50(39)46-30-32-56-54-19-6-5-17-52(54)53-18-7-8-20-55(53)59(56)38-46)43-15-11-16-44(34-43)49-36-47(40-13-3-2-4-14-40)35-48(37-49)41-25-27-42(28-26-41)51-22-12-23-58-57-21-9-10-24-60(57)62-61(51)58;1-2-11-34(10-1)41-29-42(36-22-20-35(21-23-36)40-25-27-50-49-18-7-8-19-52(49)54-53(50)33-40)31-43(30-41)38-13-9-12-37(28-38)39-24-26-48-46-16-4-3-14-44(46)45-15-5-6-17-47(45)51(48)32-39;1-46(2,3)34-21-24-42-41-23-18-32(27-44(41)50-45(42)28-34)30-9-8-10-35(25-30)47(48,49)33-19-15-29(16-20-33)31-17-22-40-38-13-5-4-11-36(38)37-12-6-7-14-39(37)43(40)26-31/h1-42H;5-12,15-38,40H,2-4,13-14H2,1H3;3-9,12-34H,1-2,10-11H2;4-28H,1-3H3.
What are the key properties of bis(4-dibenzothiophen-4-ylphenyl)-phenyl-(4-triphenylen-2-ylphenyl)silane;3-tert-butyl-7-[3-[difluoro-(4-triphenylen-2-ylphenyl)methyl]phenyl]dibenzofuran;4-[4-[3-cyclohexyl-5-[3-(3-methyl-4-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran;3-[4-[3-cyclopentyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene?
bis(4-dibenzothiophen-4-ylphenyl)-phenyl-(4-triphenylen-2-ylphenyl)silane;3-tert-butyl-7-[3-[difluoro-(4-triphenylen-2-ylphenyl)methyl]phenyl]dibenzofuran;4-[4-[3-cyclohexyl-5-[3-(3-methyl-4-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran;3-[4-[3-cyclopentyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene has a molecular weight of 3082.06 g/mol, XLogP of 63.65, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-dibenzothiophen-4-ylphenyl)-phenyl-(4-triphenylen-2-ylphenyl)silane;3-tert-butyl-7-[3-[difluoro-(4-triphenylen-2-ylphenyl)methyl]phenyl]dibenzofuran;4-[4-[3-cyclohexyl-5-[3-(3-methyl-4-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran;3-[4-[3-cyclopentyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]dibenzothiophene is sourced from PubChem (CID 161457103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).