2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine

C147H109N9Si3 — CID 161000518

IUPAC2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
SMILESC[Si]1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n3)c21.Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3-c3c(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)cccc32)cc1.Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3-c3cc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)ccc32)cc1
InChIInChI=1S/2C53H39N3Si.C41H31N3Si/c1-36-25-29-44(30-26-36)57(45-31-27-37(2)28-32-45)48-23-13-12-21-46(48)50-47(22-14-24-49(50)57)53-55-51(40-19-10-5-11-20-40)54-52(56-53)43-34-41(38-15-6-3-7-16-38)33-42(35-43)39-17-8-4-9-18-39;1-36-22-27-45(28-23-36)57(46-29-24-37(2)25-30-46)49-21-13-12-20-47(49)48-35-41(26-31-50(48)57)52-54-51(40-18-10-5-11-19-40)55-53(56-52)44-33-42(38-14-6-3-7-15-38)32-43(34-44)39-16-8-4-9-17-39;1-45(2)37-24-13-12-21-32(37)33-22-14-23-35(38(33)45)41-43-39(30-19-10-5-11-20-30)42-40(44-41)34-26-25-31(28-15-6-3-7-16-28)27-36(34)29-17-8-4-9-18-29/h2*3-35H,1-2H3;3-27H,1-2H3
InChIKeyTVURKXKBGVWGIT-UHFFFAOYSA-N
MW2085.81 g/mol
LogP29.37
Rot. Bonds19

About 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine

2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 161000518) has the molecular formula C147H109N9Si3 and a molecular weight of 2085.81 g/mol. Its IUPAC name is 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID161000518
Molecular FormulaC147H109N9Si3
Molecular Weight2085.81 g/mol
Exact Mass2083.81
IUPAC Name2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
SMILESC[Si]1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n3)c21.Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3-c3c(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)cccc32)cc1.Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3-c3cc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)ccc32)cc1
InChIInChI=1S/2C53H39N3Si.C41H31N3Si/c1-36-25-29-44(30-26-36)57(45-31-27-37(2)28-32-45)48-23-13-12-21-46(48)50-47(22-14-24-49(50)57)53-55-51(40-19-10-5-11-20-40)54-52(56-53)43-34-41(38-15-6-3-7-16-38)33-42(35-43)39-17-8-4-9-18-39;1-36-22-27-45(28-23-36)57(46-29-24-37(2)25-30-46)49-21-13-12-20-47(49)48-35-41(26-31-50(48)57)52-54-51(40-18-10-5-11-19-40)55-53(56-52)44-33-42(38-14-6-3-7-15-38)32-43(34-44)39-16-8-4-9-17-39;1-45(2)37-24-13-12-21-32(37)33-22-14-23-35(38(33)45)41-43-39(30-19-10-5-11-20-30)42-40(44-41)34-26-25-31(28-15-6-3-7-16-28)27-36(34)29-17-8-4-9-18-29/h2*3-35H,1-2H3;3-27H,1-2H3
InChIKeyTVURKXKBGVWGIT-UHFFFAOYSA-N
XLogP29.37
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002085.81
LogP ≤ 529.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 155787173
2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787204
2-(5,5-dimethyl-4-phenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2,5,5-triphenylbenzo[b][1]benzosilol-3-yl)-1,3,5-triazine
CID 156661442
2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 155787067
2-[4-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-3-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155787135
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155787052
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155787296
2-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 158183224
2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 157083192
2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 160885825
2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-8-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-9-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-10-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 158802395
2-(5,5-dimethyl-3-phenylbenzo[b][1]benzosilol-2-yl)-4-(5,5-dimethyl-4-phenylbenzo[b][1]benzosilol-2-yl)-6-phenyl-1,3,5-triazine
CID 156661421

Frequently Asked Questions

What is the IUPAC name of 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine (CID 161000518) is 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine is C[Si]1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n3)c21.Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3-c3c(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)cccc32)cc1.Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3-c3cc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)ccc32)cc1.
What is the InChIKey of 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is TVURKXKBGVWGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H39N3Si.C41H31N3Si/c1-36-25-29-44(30-26-36)57(45-31-27-37(2)28-32-45)48-23-13-12-21-46(48)50-47(22-14-24-49(50)57)53-55-51(40-19-10-5-11-20-40)54-52(56-53)43-34-41(38-15-6-3-7-16-38)33-42(35-43)39-17-8-4-9-18-39;1-36-22-27-45(28-23-36)57(46-29-24-37(2)25-30-46)49-21-13-12-20-47(49)48-35-41(26-31-50(48)57)52-54-51(40-18-10-5-11-19-40)55-53(56-52)44-33-42(38-14-6-3-7-15-38)32-43(34-44)39-16-8-4-9-17-39;1-45(2)37-24-13-12-21-32(37)33-22-14-23-35(38(33)45)41-43-39(30-19-10-5-11-20-30)42-40(44-41)34-26-25-31(28-15-6-3-7-16-28)27-36(34)29-17-8-4-9-18-29/h2*3-35H,1-2H3;3-27H,1-2H3.
What are the key properties of 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine?
2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 2085.81 g/mol, XLogP of 29.37, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 161000518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).