bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine)

C234H164N8O8Si8 — CID 165014944

IUPACbis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine)
SMILESCc1ccccc1-c1nc(-c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc(-c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)n1.Cc1ccccc1-c1nc(-c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc(-c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)n1.c1ccc(-c2nc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/2C59H42N2O2Si2.2C58H40N2O2Si2/c2*1-41-22-14-15-31-46(41)59-60-49(47-32-20-38-55-57(47)62-51-34-16-18-36-53(51)64(55,42-23-6-2-7-24-42)43-25-8-3-9-26-43)40-50(61-59)48-33-21-39-56-58(48)63-52-35-17-19-37-54(52)65(56,44-27-10-4-11-28-44)45-29-12-5-13-30-45;2*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*2-40H,1H3;2*1-40H
InChIKeyKGSQYCBISFKCNW-UHFFFAOYSA-N
MW3440.62 g/mol
LogP34.39
Rot. Bonds28

About bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine)

bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine) (PubChem CID 165014944) has the molecular formula C234H164N8O8Si8 and a molecular weight of 3440.62 g/mol. Its IUPAC name is bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine).

Molecular Properties

Compound Namebis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine)
PubChem CID165014944
Molecular FormulaC234H164N8O8Si8
Molecular Weight3440.62 g/mol
Exact Mass3437.08
IUPAC Namebis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine)
SMILESCc1ccccc1-c1nc(-c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc(-c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)n1.Cc1ccccc1-c1nc(-c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc(-c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)n1.c1ccc(-c2nc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/2C59H42N2O2Si2.2C58H40N2O2Si2/c2*1-41-22-14-15-31-46(41)59-60-49(47-32-20-38-55-57(47)62-51-34-16-18-36-53(51)64(55,42-23-6-2-7-24-42)43-25-8-3-9-26-43)40-50(61-59)48-33-21-39-56-58(48)63-52-35-17-19-37-54(52)65(56,44-27-10-4-11-28-44)45-29-12-5-13-30-45;2*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*2-40H,1H3;2*1-40H
InChIKeyKGSQYCBISFKCNW-UHFFFAOYSA-N
XLogP34.39
TPSA176.96 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003440.62
LogP ≤ 534.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine) with MolForge

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Related Compounds

2-(2,6-dimethylphenyl)-4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-1,3,5-triazine
CID 155622054
2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine
CID 155650366
4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine
CID 155650594
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
(2Z)-4-[2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-phenylpyrimidin-4-yl]penta-2,4-dien-1-imine
CID 155655479
2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine
CID 176643494
N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 123565819
4-[2-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2,4,6,9(14),10,12,16,18,20,23,25-dodecaen-13-yl)phenyl]-2,6-diphenylpyrimidine
CID 146343140
2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388570
4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575587
5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole
CID 159013285
2-[3-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 155787059

Frequently Asked Questions

What is the IUPAC name of bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine)?
The IUPAC name of bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine) (CID 165014944) is bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine).
What is the SMILES notation for bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine)?
The canonical SMILES for bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine) is Cc1ccccc1-c1nc(-c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc(-c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)n1.Cc1ccccc1-c1nc(-c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc(-c2cccc3c2Oc2ccccc2[Si]3(c2ccccc2)c2ccccc2)n1.c1ccc(-c2nc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine)?
The InChIKey is KGSQYCBISFKCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H42N2O2Si2.2C58H40N2O2Si2/c2*1-41-22-14-15-31-46(41)59-60-49(47-32-20-38-55-57(47)62-51-34-16-18-36-53(51)64(55,42-23-6-2-7-24-42)43-25-8-3-9-26-43)40-50(61-59)48-33-21-39-56-58(48)63-52-35-17-19-37-54(52)65(56,44-27-10-4-11-28-44)45-29-12-5-13-30-45;2*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*2-40H,1H3;2*1-40H.
What are the key properties of bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine)?
bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine) has a molecular weight of 3440.62 g/mol, XLogP of 34.39, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine) is sourced from PubChem (CID 165014944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).