4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane

C302H228N10O4Si6 — CID 165102783

IUPAC4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane
SMILESCc1cc(C)c(-c2nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)c(C)c1.Cc1cc(C)c(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)c(C)c1.Cc1cccc(C)c1-c1nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1.c1ccc(-c2nc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C63H50N2.C61H50N2Si2.C60H40N2O2.C60H48N2Si2.C58H40N2O2Si2/c1-45-40-46(2)60(47(3)41-45)61-64-58(48-24-22-38-56(42-48)62(50-26-10-4-11-27-50,51-28-12-5-13-29-51)52-30-14-6-15-31-52)44-59(65-61)49-25-23-39-57(43-49)63(53-32-16-7-17-33-53,54-34-18-8-19-35-54)55-36-20-9-21-37-55;1-45-40-46(2)60(47(3)41-45)61-62-58(48-24-22-38-56(42-48)64(50-26-10-4-11-27-50,51-28-12-5-13-29-51)52-30-14-6-15-31-52)44-59(63-61)49-25-23-39-57(43-49)65(53-32-16-7-17-33-53,54-34-18-8-19-35-54)55-36-20-9-21-37-55;1-6-22-41(23-7-1)58-61-52(46-32-20-36-50-56(46)63-54-38-18-16-34-48(54)59(50,42-24-8-2-9-25-42)43-26-10-3-11-27-43)40-53(62-58)47-33-21-37-51-57(47)64-55-39-19-17-35-49(55)60(51,44-28-12-4-13-29-44)45-30-14-5-15-31-45;1-45-24-21-25-46(2)59(45)60-61-57(47-26-22-40-55(42-47)63(49-28-9-3-10-29-49,50-30-11-4-12-31-50)51-32-13-5-14-33-51)44-58(62-60)48-27-23-41-56(43-48)64(52-34-15-6-16-35-52,53-36-17-7-18-37-53)54-38-19-8-20-39-54;1-6-22-41(23-7-1)58-59-48(46-32-20-38-54-56(46)61-50-34-16-18-36-52(50)63(54,42-24-8-2-9-25-42)43-26-10-3-11-27-43)40-49(60-58)47-33-21-39-55-57(47)62-51-35-17-19-37-53(51)64(55,44-28-12-4-13-29-44)45-30-14-5-15-31-45/h2*4-44H,1-3H3;1-40H;3-44H,1-2H3;1-40H
InChIKeyYPRXCLUOPUIYBS-UHFFFAOYSA-N
MW4229.73 g/mol
LogP56.07
Rot. Bonds47

About 4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane

4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane (PubChem CID 165102783) has the molecular formula C302H228N10O4Si6 and a molecular weight of 4229.73 g/mol. Its IUPAC name is 4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane.

Molecular Properties

Compound Name4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane
PubChem CID165102783
Molecular FormulaC302H228N10O4Si6
Molecular Weight4229.73 g/mol
Exact Mass4225.66
IUPAC Name4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane
SMILESCc1cc(C)c(-c2nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)c(C)c1.Cc1cc(C)c(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)c(C)c1.Cc1cccc(C)c1-c1nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1.c1ccc(-c2nc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C63H50N2.C61H50N2Si2.C60H40N2O2.C60H48N2Si2.C58H40N2O2Si2/c1-45-40-46(2)60(47(3)41-45)61-64-58(48-24-22-38-56(42-48)62(50-26-10-4-11-27-50,51-28-12-5-13-29-51)52-30-14-6-15-31-52)44-59(65-61)49-25-23-39-57(43-49)63(53-32-16-7-17-33-53,54-34-18-8-19-35-54)55-36-20-9-21-37-55;1-45-40-46(2)60(47(3)41-45)61-62-58(48-24-22-38-56(42-48)64(50-26-10-4-11-27-50,51-28-12-5-13-29-51)52-30-14-6-15-31-52)44-59(63-61)49-25-23-39-57(43-49)65(53-32-16-7-17-33-53,54-34-18-8-19-35-54)55-36-20-9-21-37-55;1-6-22-41(23-7-1)58-61-52(46-32-20-36-50-56(46)63-54-38-18-16-34-48(54)59(50,42-24-8-2-9-25-42)43-26-10-3-11-27-43)40-53(62-58)47-33-21-37-51-57(47)64-55-39-19-17-35-49(55)60(51,44-28-12-4-13-29-44)45-30-14-5-15-31-45;1-45-24-21-25-46(2)59(45)60-61-57(47-26-22-40-55(42-47)63(49-28-9-3-10-29-49,50-30-11-4-12-31-50)51-32-13-5-14-33-51)44-58(62-60)48-27-23-41-56(43-48)64(52-34-15-6-16-35-52,53-36-17-7-18-37-53)54-38-19-8-20-39-54;1-6-22-41(23-7-1)58-59-48(46-32-20-38-54-56(46)61-50-34-16-18-36-52(50)63(54,42-24-8-2-9-25-42)43-26-10-3-11-27-43)40-49(60-58)47-33-21-39-55-57(47)62-51-35-17-19-37-53(51)64(55,44-28-12-4-13-29-44)45-30-14-5-15-31-45/h2*4-44H,1-3H3;1-40H;3-44H,1-2H3;1-40H
InChIKeyYPRXCLUOPUIYBS-UHFFFAOYSA-N
XLogP56.07
TPSA165.82 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds47
Heavy Atoms322
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004229.73
LogP ≤ 556.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane?
The IUPAC name of 4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane (CID 165102783) is 4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane.
What is the SMILES notation for 4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane?
The canonical SMILES for 4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane is Cc1cc(C)c(-c2nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)c(C)c1.Cc1cc(C)c(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)c(C)c1.Cc1cccc(C)c1-c1nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1.c1ccc(-c2nc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane?
The InChIKey is YPRXCLUOPUIYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H50N2.C61H50N2Si2.C60H40N2O2.C60H48N2Si2.C58H40N2O2Si2/c1-45-40-46(2)60(47(3)41-45)61-64-58(48-24-22-38-56(42-48)62(50-26-10-4-11-27-50,51-28-12-5-13-29-51)52-30-14-6-15-31-52)44-59(65-61)49-25-23-39-57(43-49)63(53-32-16-7-17-33-53,54-34-18-8-19-35-54)55-36-20-9-21-37-55;1-45-40-46(2)60(47(3)41-45)61-62-58(48-24-22-38-56(42-48)64(50-26-10-4-11-27-50,51-28-12-5-13-29-51)52-30-14-6-15-31-52)44-59(63-61)49-25-23-39-57(43-49)65(53-32-16-7-17-33-53,54-34-18-8-19-35-54)55-36-20-9-21-37-55;1-6-22-41(23-7-1)58-61-52(46-32-20-36-50-56(46)63-54-38-18-16-34-48(54)59(50,42-24-8-2-9-25-42)43-26-10-3-11-27-43)40-53(62-58)47-33-21-37-51-57(47)64-55-39-19-17-35-49(55)60(51,44-28-12-4-13-29-44)45-30-14-5-15-31-45;1-45-24-21-25-46(2)59(45)60-61-57(47-26-22-40-55(42-47)63(49-28-9-3-10-29-49,50-30-11-4-12-31-50)51-32-13-5-14-33-51)44-58(62-60)48-27-23-41-56(43-48)64(52-34-15-6-16-35-52,53-36-17-7-18-37-53)54-38-19-8-20-39-54;1-6-22-41(23-7-1)58-59-48(46-32-20-38-54-56(46)61-50-34-16-18-36-52(50)63(54,42-24-8-2-9-25-42)43-26-10-3-11-27-43)40-49(60-58)47-33-21-39-55-57(47)62-51-35-17-19-37-53(51)64(55,44-28-12-4-13-29-44)45-30-14-5-15-31-45/h2*4-44H,1-3H3;1-40H;3-44H,1-2H3;1-40H.
What are the key properties of 4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane?
4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane has a molecular weight of 4229.73 g/mol, XLogP of 56.07, 47 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane is sourced from PubChem (CID 165102783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).