[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-1-yl-diphenylsilane;[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-2-yl-diphenylsilane;dibenzothiophen-3-yl-[3-[4-[3-[dibenzothiophen-3-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-[4-[3-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane

C240H162N14S6Si6 — CID 165047948

IUPAC[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-1-yl-diphenylsilane;[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-2-yl-diphenylsilane;dibenzothiophen-3-yl-[3-[4-[3-[dibenzothiophen-3-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-[4-[3-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane
SMILESc1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(c4)sc4ccccc45)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(c4)sc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc5sc6ccccc6c5c4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5sc6ccccc6c45)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/2C69H47N3S2Si2.2C51H34N4SSi/c1-6-24-48(25-7-1)67-70-68(49-26-20-36-55(46-49)75(51-28-8-2-9-29-51,52-30-10-3-11-31-52)63-44-22-40-59-57-38-16-18-42-61(57)73-65(59)63)72-69(71-67)50-27-21-37-56(47-50)76(53-32-12-4-13-33-53,54-34-14-5-15-35-54)64-45-23-41-60-58-39-17-19-43-62(58)74-66(60)64;1-6-22-48(23-7-1)67-70-68(49-24-20-34-55(44-49)75(51-26-8-2-9-27-51,52-28-10-3-11-29-52)57-40-42-61-59-36-16-18-38-63(59)73-65(61)46-57)72-69(71-67)50-25-21-35-56(45-50)76(53-30-12-4-13-31-53,54-32-14-5-15-33-54)58-41-43-62-60-37-17-19-39-64(60)74-66(62)47-58;1-4-18-35(19-5-1)49-52-50(54-51(53-49)55-43-29-13-10-26-40(43)41-27-11-14-30-44(41)55)36-20-16-25-39(34-36)57(37-21-6-2-7-22-37,38-23-8-3-9-24-38)47-33-17-32-46-48(47)42-28-12-15-31-45(42)56-46;1-4-17-35(18-5-1)49-52-50(54-51(53-49)55-45-28-13-10-25-41(45)42-26-11-14-29-46(42)55)36-19-16-24-39(33-36)57(37-20-6-2-7-21-37,38-22-8-3-9-23-38)40-31-32-48-44(34-40)43-27-12-15-30-47(43)56-48/h2*1-47H;2*1-34H
InChIKeyPEUSPXAEJONEJW-UHFFFAOYSA-N
MW3602.95 g/mol
LogP44.82
Rot. Bonds36

About [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-1-yl-diphenylsilane;[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-2-yl-diphenylsilane;dibenzothiophen-3-yl-[3-[4-[3-[dibenzothiophen-3-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-[4-[3-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane

[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-1-yl-diphenylsilane;[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-2-yl-diphenylsilane;dibenzothiophen-3-yl-[3-[4-[3-[dibenzothiophen-3-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-[4-[3-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane (PubChem CID 165047948) has the molecular formula C240H162N14S6Si6 and a molecular weight of 3602.95 g/mol. Its IUPAC name is [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-1-yl-diphenylsilane;[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-2-yl-diphenylsilane;dibenzothiophen-3-yl-[3-[4-[3-[dibenzothiophen-3-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-[4-[3-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane.

Molecular Properties

Compound Name[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-1-yl-diphenylsilane;[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-2-yl-diphenylsilane;dibenzothiophen-3-yl-[3-[4-[3-[dibenzothiophen-3-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-[4-[3-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane
PubChem CID165047948
Molecular FormulaC240H162N14S6Si6
Molecular Weight3602.95 g/mol
Exact Mass3599.00
IUPAC Name[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-1-yl-diphenylsilane;[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-2-yl-diphenylsilane;dibenzothiophen-3-yl-[3-[4-[3-[dibenzothiophen-3-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-[4-[3-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane
SMILESc1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(c4)sc4ccccc45)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(c4)sc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc5sc6ccccc6c5c4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5sc6ccccc6c45)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/2C69H47N3S2Si2.2C51H34N4SSi/c1-6-24-48(25-7-1)67-70-68(49-26-20-36-55(46-49)75(51-28-8-2-9-29-51,52-30-10-3-11-31-52)63-44-22-40-59-57-38-16-18-42-61(57)73-65(59)63)72-69(71-67)50-27-21-37-56(47-50)76(53-32-12-4-13-33-53,54-34-14-5-15-35-54)64-45-23-41-60-58-39-17-19-43-62(58)74-66(60)64;1-6-22-48(23-7-1)67-70-68(49-24-20-34-55(44-49)75(51-26-8-2-9-27-51,52-28-10-3-11-29-52)57-40-42-61-59-36-16-18-38-63(59)73-65(61)46-57)72-69(71-67)50-25-21-35-56(45-50)76(53-30-12-4-13-31-53,54-32-14-5-15-33-54)58-41-43-62-60-37-17-19-39-64(60)74-66(62)47-58;1-4-18-35(19-5-1)49-52-50(54-51(53-49)55-43-29-13-10-26-40(43)41-27-11-14-30-44(41)55)36-20-16-25-39(34-36)57(37-21-6-2-7-22-37,38-23-8-3-9-24-38)47-33-17-32-46-48(47)42-28-12-15-31-45(42)56-46;1-4-17-35(18-5-1)49-52-50(54-51(53-49)55-45-28-13-10-25-41(45)42-26-11-14-29-46(42)55)36-19-16-24-39(33-36)57(37-20-6-2-7-21-37,38-22-8-3-9-23-38)40-31-32-48-44(34-40)43-27-12-15-30-47(43)56-48/h2*1-47H;2*1-34H
InChIKeyPEUSPXAEJONEJW-UHFFFAOYSA-N
XLogP44.82
TPSA164.54 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003602.95
LogP ≤ 544.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-1-yl-diphenylsilane;[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-2-yl-diphenylsilane;dibenzothiophen-3-yl-[3-[4-[3-[dibenzothiophen-3-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-[4-[3-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane with MolForge

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Related Compounds

[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane
CID 164757111
dibenzothiophen-1-yl-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-diphenylsilane
CID 170779783
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,24-dithia-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 118301265
dibenzothiophen-3-yl-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
CID 164757082
(3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007174
dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
CID 168845229
dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-2-yl)silane
CID 170779705
dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 170779772
9-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572632
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-6-yl]carbazole
CID 146664398
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,15-dithia-19-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
CID 118301202
[3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 168836287

Frequently Asked Questions

What is the IUPAC name of [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-1-yl-diphenylsilane;[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-2-yl-diphenylsilane;dibenzothiophen-3-yl-[3-[4-[3-[dibenzothiophen-3-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-[4-[3-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane?
The IUPAC name of [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-1-yl-diphenylsilane;[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-2-yl-diphenylsilane;dibenzothiophen-3-yl-[3-[4-[3-[dibenzothiophen-3-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-[4-[3-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane (CID 165047948) is [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-1-yl-diphenylsilane;[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-2-yl-diphenylsilane;dibenzothiophen-3-yl-[3-[4-[3-[dibenzothiophen-3-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-[4-[3-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane.
What is the SMILES notation for [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-1-yl-diphenylsilane;[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-2-yl-diphenylsilane;dibenzothiophen-3-yl-[3-[4-[3-[dibenzothiophen-3-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-[4-[3-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane?
The canonical SMILES for [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-1-yl-diphenylsilane;[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-2-yl-diphenylsilane;dibenzothiophen-3-yl-[3-[4-[3-[dibenzothiophen-3-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-[4-[3-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane is c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(c4)sc4ccccc45)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(c4)sc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc5sc6ccccc6c5c4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5sc6ccccc6c45)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-1-yl-diphenylsilane;[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-2-yl-diphenylsilane;dibenzothiophen-3-yl-[3-[4-[3-[dibenzothiophen-3-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-[4-[3-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane?
The InChIKey is PEUSPXAEJONEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C69H47N3S2Si2.2C51H34N4SSi/c1-6-24-48(25-7-1)67-70-68(49-26-20-36-55(46-49)75(51-28-8-2-9-29-51,52-30-10-3-11-31-52)63-44-22-40-59-57-38-16-18-42-61(57)73-65(59)63)72-69(71-67)50-27-21-37-56(47-50)76(53-32-12-4-13-33-53,54-34-14-5-15-35-54)64-45-23-41-60-58-39-17-19-43-62(58)74-66(60)64;1-6-22-48(23-7-1)67-70-68(49-24-20-34-55(44-49)75(51-26-8-2-9-27-51,52-28-10-3-11-29-52)57-40-42-61-59-36-16-18-38-63(59)73-65(61)46-57)72-69(71-67)50-25-21-35-56(45-50)76(53-30-12-4-13-31-53,54-32-14-5-15-33-54)58-41-43-62-60-37-17-19-39-64(60)74-66(62)47-58;1-4-18-35(19-5-1)49-52-50(54-51(53-49)55-43-29-13-10-26-40(43)41-27-11-14-30-44(41)55)36-20-16-25-39(34-36)57(37-21-6-2-7-22-37,38-23-8-3-9-24-38)47-33-17-32-46-48(47)42-28-12-15-31-45(42)56-46;1-4-17-35(18-5-1)49-52-50(54-51(53-49)55-45-28-13-10-25-41(45)42-26-11-14-29-46(42)55)36-19-16-24-39(33-36)57(37-20-6-2-7-21-37,38-22-8-3-9-23-38)40-31-32-48-44(34-40)43-27-12-15-30-47(43)56-48/h2*1-47H;2*1-34H.
What are the key properties of [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-1-yl-diphenylsilane;[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-2-yl-diphenylsilane;dibenzothiophen-3-yl-[3-[4-[3-[dibenzothiophen-3-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-[4-[3-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane?
[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-1-yl-diphenylsilane;[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-2-yl-diphenylsilane;dibenzothiophen-3-yl-[3-[4-[3-[dibenzothiophen-3-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-[4-[3-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane has a molecular weight of 3602.95 g/mol, XLogP of 44.82, 36 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-1-yl-diphenylsilane;[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-2-yl-diphenylsilane;dibenzothiophen-3-yl-[3-[4-[3-[dibenzothiophen-3-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane;dibenzothiophen-4-yl-[3-[4-[3-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylsilane is sourced from PubChem (CID 165047948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).