2-[3,8-bis(2,6-dimethyl-4-pyridinyl)-6-(4,6-dimethylpyrimidin-2-yl)pyren-1-yl]-4,6-dimethylpyrimidine;4-[3,6-bis(2,6-dimethyl-4-pyridinyl)-8-(2,4,6-trimethylphenyl)pyren-1-yl]-2,6-dimethylpyridine;[4-[3-[4,6-bis(2-methylbutan-2-yl)-1,3,5-triazin-2-yl]-6,8-bis(2-methyl-4-trimethylsilylphenyl)pyren-1-yl]-3-methylphenyl]-trimethylsilane;4,6-ditert-butyl-2-[7-(3,6-dimethyl-2-pyridinyl)-3,5-diphenylpyren-1-yl]pyrimidine;[8-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]-dimethyl-phenylsilane

C239H234N18Si4 — CID 160997211

About 2-[3,8-bis(2,6-dimethyl-4-pyridinyl)-6-(4,6-dimethylpyrimidin-2-yl)pyren-1-yl]-4,6-dimethylpyrimidine;4-[3,6-bis(2,6-dimethyl-4-pyridinyl)-8-(2,4,6-trimethylphenyl)pyren-1-yl]-2,6-dimethylpyridine;[4-[3-[4,6-bis(2-methylbutan-2-yl)-1,3,5-triazin-2-yl]-6,8-bis(2-methyl-4-trimethylsilylphenyl)pyren-1-yl]-3-methylphenyl]-trimethylsilane;4,6-ditert-butyl-2-[7-(3,6-dimethyl-2-pyridinyl)-3,5-diphenylpyren-1-yl]pyrimidine;[8-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]-dimethyl-phenylsilane

2-[3,8-bis(2,6-dimethyl-4-pyridinyl)-6-(4,6-dimethylpyrimidin-2-yl)pyren-1-yl]-4,6-dimethylpyrimidine;4-[3,6-bis(2,6-dimethyl-4-pyridinyl)-8-(2,4,6-trimethylphenyl)pyren-1-yl]-2,6-dimethylpyridine;[4-[3-[4,6-bis(2-methylbutan-2-yl)-1,3,5-triazin-2-yl]-6,8-bis(2-methyl-4-trimethylsilylphenyl)pyren-1-yl]-3-methylphenyl]-trimethylsilane;4,6-ditert-butyl-2-[7-(3,6-dimethyl-2-pyridinyl)-3,5-diphenylpyren-1-yl]pyrimidine;[8-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]-dimethyl-phenylsilane (PubChem CID 160997211) has the molecular formula C239H234N18Si4 and a molecular weight of 3481.03 g/mol. Its IUPAC name is 2-[3,8-bis(2,6-dimethyl-4-pyridinyl)-6-(4,6-dimethylpyrimidin-2-yl)pyren-1-yl]-4,6-dimethylpyrimidine;4-[3,6-bis(2,6-dimethyl-4-pyridinyl)-8-(2,4,6-trimethylphenyl)pyren-1-yl]-2,6-dimethylpyridine;[4-[3-[4,6-bis(2-methylbutan-2-yl)-1,3,5-triazin-2-yl]-6,8-bis(2-methyl-4-trimethylsilylphenyl)pyren-1-yl]-3-methylphenyl]-trimethylsilane;4,6-ditert-butyl-2-[7-(3,6-dimethyl-2-pyridinyl)-3,5-diphenylpyren-1-yl]pyrimidine;[8-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]-dimethyl-phenylsilane.

Molecular Properties

• Compound Name: 2-[3,8-bis(2,6-dimethyl-4-pyridinyl)-6-(4,6-dimethylpyrimidin-2-yl)pyren-1-yl]-4,6-dimethylpyrimidine;4-[3,6-bis(2,6-dimethyl-4-pyridinyl)-8-(2,4,6-trimethylphenyl)pyren-1-yl]-2,6-dimethylpyridine;[4-[3-[4,6-bis(2-methylbutan-2-yl)-1,3,5-triazin-2-yl]-6,8-bis(2-methyl-4-trimethylsilylphenyl)pyren-1-yl]-3-methylphenyl]-trimethylsilane;4,6-ditert-butyl-2-[7-(3,6-dimethyl-2-pyridinyl)-3,5-diphenylpyren-1-yl]pyrimidine;[8-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]-dimethyl-phenylsilane
• PubChem CID: 160997211
• Molecular Formula: C239H234N18Si4
• Molecular Weight: 3481.03 g/mol
• Exact Mass: 3477.86
• IUPAC Name: 2-[3,8-bis(2,6-dimethyl-4-pyridinyl)-6-(4,6-dimethylpyrimidin-2-yl)pyren-1-yl]-4,6-dimethylpyrimidine;4-[3,6-bis(2,6-dimethyl-4-pyridinyl)-8-(2,4,6-trimethylphenyl)pyren-1-yl]-2,6-dimethylpyridine;[4-[3-[4,6-bis(2-methylbutan-2-yl)-1,3,5-triazin-2-yl]-6,8-bis(2-methyl-4-trimethylsilylphenyl)pyren-1-yl]-3-methylphenyl]-trimethylsilane;4,6-ditert-butyl-2-[7-(3,6-dimethyl-2-pyridinyl)-3,5-diphenylpyren-1-yl]pyrimidine;[8-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]-dimethyl-phenylsilane
• SMILES: CCC(C)(C)c1nc(-c2cc(-c3ccc([Si](C)(C)C)cc3C)c3ccc4c(-c5ccc([Si](C)(C)C)cc5C)cc(-c5ccc([Si](C)(C)C)cc5C)c5ccc2c3c54)nc(C(C)(C)CC)n1.Cc1cc(-c2cc(-c3nc(C)cc(C)n3)c3ccc4c(-c5cc(C)nc(C)c5)cc(-c5nc(C)cc(C)n5)c5ccc2c3c45)cc(C)n1.Cc1cc(C)c(-c2cc(-c3cc(C)nc(C)c3)c3ccc4c(-c5cc(C)nc(C)c5)cc(-c5cc(C)nc(C)c5)c5ccc2c3c45)c(C)c1.Cc1ccc(C)c(-c2cc3ccc4c(-c5nc(C(C)(C)C)cc(C(C)(C)C)n5)cc(-c5ccccc5)c5cc(-c6ccccc6)c(c2)c3c54)n1.[2H]c1c([2H])c([2H])c(-c2cc(-c3nc(C(C)C)nc(C(C)C)n3)c3ccc4c([Si](C)(C)c5ccccc5)cc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5ccc2c3c54)c([2H])c1[2H]
• InChI: InChI=1S/C59H73N3Si3.C47H43N3.C46H41N3.C45H41N3Si.C42H36N6/c1-19-58(6,7)56-60-55(61-57(62-56)59(8,9)20-2)52-35-51(44-26-23-41(33-38(44)5)65(16,17)18)47-28-27-45-49(42-24-21-39(31-36(42)3)63(10,11)12)34-50(46-29-30-48(52)54(47)53(45)46)43-25-22-40(32-37(43)4)64(13,14)15;1-28-19-20-29(2)48-44(28)33-23-32-21-22-34-39(45-49-40(46(3,4)5)27-41(50-45)47(6,7)8)26-36(31-17-13-10-14-18-31)38-25-35(30-15-11-9-12-16-30)37(24-33)42(32)43(34)38;1-24-14-25(2)44(26(3)15-24)43-23-42(35-20-31(8)49-32(9)21-35)38-11-10-36-40(33-16-27(4)47-28(5)17-33)22-41(34-18-29(6)48-30(7)19-34)37-12-13-39(43)46(38)45(36)37;1-28(2)43-46-44(29(3)4)48-45(47-43)39-26-37(30-16-10-7-11-17-30)33-22-23-34-38(31-18-12-8-13-19-31)27-40(36-25-24-35(39)41(33)42(34)36)49(5,6)32-20-14-9-15-21-32;1-21-13-22(2)46-41(45-21)37-19-35(29-15-25(5)43-26(6)16-29)31-10-12-34-38(42-47-23(3)14-24(4)48-42)20-36(30-17-27(7)44-28(8)18-30)32-9-11-33(37)39(31)40(32)34/h21-35H,19-20H2,1-18H3;9-27H,1-8H3;10-23H,1-9H3;7-29H,1-6H3;9-20H,1-8H3/i;;;7D,8D,10D,11D,12D,13D,16D,17D,18D,19D
• InChIKey: TVKFNGRJINQPEI-JPJGTVBFSA-N
• XLogP: 61.16
• TPSA: 232.02 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 261
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3481.03
LogP ≤ 5	61.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-[3,8-bis(2,6-dimethyl-4-pyridinyl)-6-(4,6-dimethylpyrimidin-2-yl)pyren-1-yl]-4,6-dimethylpyrimidine;4-[3,6-bis(2,6-dimethyl-4-pyridinyl)-8-(2,4,6-trimethylphenyl)pyren-1-yl]-2,6-dimethylpyridine;[4-[3-[4,6-bis(2-methylbutan-2-yl)-1,3,5-triazin-2-yl]-6,8-bis(2-methyl-4-trimethylsilylphenyl)pyren-1-yl]-3-methylphenyl]-trimethylsilane;4,6-ditert-butyl-2-[7-(3,6-dimethyl-2-pyridinyl)-3,5-diphenylpyren-1-yl]pyrimidine;[8-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]-dimethyl-phenylsilane?

The IUPAC name of 2-[3,8-bis(2,6-dimethyl-4-pyridinyl)-6-(4,6-dimethylpyrimidin-2-yl)pyren-1-yl]-4,6-dimethylpyrimidine;4-[3,6-bis(2,6-dimethyl-4-pyridinyl)-8-(2,4,6-trimethylphenyl)pyren-1-yl]-2,6-dimethylpyridine;[4-[3-[4,6-bis(2-methylbutan-2-yl)-1,3,5-triazin-2-yl]-6,8-bis(2-methyl-4-trimethylsilylphenyl)pyren-1-yl]-3-methylphenyl]-trimethylsilane;4,6-ditert-butyl-2-[7-(3,6-dimethyl-2-pyridinyl)-3,5-diphenylpyren-1-yl]pyrimidine;[8-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]-dimethyl-phenylsilane (CID 160997211) is 2-[3,8-bis(2,6-dimethyl-4-pyridinyl)-6-(4,6-dimethylpyrimidin-2-yl)pyren-1-yl]-4,6-dimethylpyrimidine;4-[3,6-bis(2,6-dimethyl-4-pyridinyl)-8-(2,4,6-trimethylphenyl)pyren-1-yl]-2,6-dimethylpyridine;[4-[3-[4,6-bis(2-methylbutan-2-yl)-1,3,5-triazin-2-yl]-6,8-bis(2-methyl-4-trimethylsilylphenyl)pyren-1-yl]-3-methylphenyl]-trimethylsilane;4,6-ditert-butyl-2-[7-(3,6-dimethyl-2-pyridinyl)-3,5-diphenylpyren-1-yl]pyrimidine;[8-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]-dimethyl-phenylsilane.

What is the SMILES notation for 2-[3,8-bis(2,6-dimethyl-4-pyridinyl)-6-(4,6-dimethylpyrimidin-2-yl)pyren-1-yl]-4,6-dimethylpyrimidine;4-[3,6-bis(2,6-dimethyl-4-pyridinyl)-8-(2,4,6-trimethylphenyl)pyren-1-yl]-2,6-dimethylpyridine;[4-[3-[4,6-bis(2-methylbutan-2-yl)-1,3,5-triazin-2-yl]-6,8-bis(2-methyl-4-trimethylsilylphenyl)pyren-1-yl]-3-methylphenyl]-trimethylsilane;4,6-ditert-butyl-2-[7-(3,6-dimethyl-2-pyridinyl)-3,5-diphenylpyren-1-yl]pyrimidine;[8-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]-dimethyl-phenylsilane?

The canonical SMILES for 2-[3,8-bis(2,6-dimethyl-4-pyridinyl)-6-(4,6-dimethylpyrimidin-2-yl)pyren-1-yl]-4,6-dimethylpyrimidine;4-[3,6-bis(2,6-dimethyl-4-pyridinyl)-8-(2,4,6-trimethylphenyl)pyren-1-yl]-2,6-dimethylpyridine;[4-[3-[4,6-bis(2-methylbutan-2-yl)-1,3,5-triazin-2-yl]-6,8-bis(2-methyl-4-trimethylsilylphenyl)pyren-1-yl]-3-methylphenyl]-trimethylsilane;4,6-ditert-butyl-2-[7-(3,6-dimethyl-2-pyridinyl)-3,5-diphenylpyren-1-yl]pyrimidine;[8-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]-dimethyl-phenylsilane is CCC(C)(C)c1nc(-c2cc(-c3ccc([Si](C)(C)C)cc3C)c3ccc4c(-c5ccc([Si](C)(C)C)cc5C)cc(-c5ccc([Si](C)(C)C)cc5C)c5ccc2c3c54)nc(C(C)(C)CC)n1.Cc1cc(-c2cc(-c3nc(C)cc(C)n3)c3ccc4c(-c5cc(C)nc(C)c5)cc(-c5nc(C)cc(C)n5)c5ccc2c3c45)cc(C)n1.Cc1cc(C)c(-c2cc(-c3cc(C)nc(C)c3)c3ccc4c(-c5cc(C)nc(C)c5)cc(-c5cc(C)nc(C)c5)c5ccc2c3c45)c(C)c1.Cc1ccc(C)c(-c2cc3ccc4c(-c5nc(C(C)(C)C)cc(C(C)(C)C)n5)cc(-c5ccccc5)c5cc(-c6ccccc6)c(c2)c3c54)n1.[2H]c1c([2H])c([2H])c(-c2cc(-c3nc(C(C)C)nc(C(C)C)n3)c3ccc4c([Si](C)(C)c5ccccc5)cc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5ccc2c3c54)c([2H])c1[2H].

What is the InChIKey of 2-[3,8-bis(2,6-dimethyl-4-pyridinyl)-6-(4,6-dimethylpyrimidin-2-yl)pyren-1-yl]-4,6-dimethylpyrimidine;4-[3,6-bis(2,6-dimethyl-4-pyridinyl)-8-(2,4,6-trimethylphenyl)pyren-1-yl]-2,6-dimethylpyridine;[4-[3-[4,6-bis(2-methylbutan-2-yl)-1,3,5-triazin-2-yl]-6,8-bis(2-methyl-4-trimethylsilylphenyl)pyren-1-yl]-3-methylphenyl]-trimethylsilane;4,6-ditert-butyl-2-[7-(3,6-dimethyl-2-pyridinyl)-3,5-diphenylpyren-1-yl]pyrimidine;[8-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]-dimethyl-phenylsilane?

The InChIKey is TVKFNGRJINQPEI-JPJGTVBFSA-N. The full InChI is InChI=1S/C59H73N3Si3.C47H43N3.C46H41N3.C45H41N3Si.C42H36N6/c1-19-58(6,7)56-60-55(61-57(62-56)59(8,9)20-2)52-35-51(44-26-23-41(33-38(44)5)65(16,17)18)47-28-27-45-49(42-24-21-39(31-36(42)3)63(10,11)12)34-50(46-29-30-48(52)54(47)53(45)46)43-25-22-40(32-37(43)4)64(13,14)15;1-28-19-20-29(2)48-44(28)33-23-32-21-22-34-39(45-49-40(46(3,4)5)27-41(50-45)47(6,7)8)26-36(31-17-13-10-14-18-31)38-25-35(30-15-11-9-12-16-30)37(24-33)42(32)43(34)38;1-24-14-25(2)44(26(3)15-24)43-23-42(35-20-31(8)49-32(9)21-35)38-11-10-36-40(33-16-27(4)47-28(5)17-33)22-41(34-18-29(6)48-30(7)19-34)37-12-13-39(43)46(38)45(36)37;1-28(2)43-46-44(29(3)4)48-45(47-43)39-26-37(30-16-10-7-11-17-30)33-22-23-34-38(31-18-12-8-13-19-31)27-40(36-25-24-35(39)41(33)42(34)36)49(5,6)32-20-14-9-15-21-32;1-21-13-22(2)46-41(45-21)37-19-35(29-15-25(5)43-26(6)16-29)31-10-12-34-38(42-47-23(3)14-24(4)48-42)20-36(30-17-27(7)44-28(8)18-30)32-9-11-33(37)39(31)40(32)34/h21-35H,19-20H2,1-18H3;9-27H,1-8H3;10-23H,1-9H3;7-29H,1-6H3;9-20H,1-8H3/i;;;7D,8D,10D,11D,12D,13D,16D,17D,18D,19D;.

What are the key properties of 2-[3,8-bis(2,6-dimethyl-4-pyridinyl)-6-(4,6-dimethylpyrimidin-2-yl)pyren-1-yl]-4,6-dimethylpyrimidine;4-[3,6-bis(2,6-dimethyl-4-pyridinyl)-8-(2,4,6-trimethylphenyl)pyren-1-yl]-2,6-dimethylpyridine;[4-[3-[4,6-bis(2-methylbutan-2-yl)-1,3,5-triazin-2-yl]-6,8-bis(2-methyl-4-trimethylsilylphenyl)pyren-1-yl]-3-methylphenyl]-trimethylsilane;4,6-ditert-butyl-2-[7-(3,6-dimethyl-2-pyridinyl)-3,5-diphenylpyren-1-yl]pyrimidine;[8-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]-dimethyl-phenylsilane?

2-[3,8-bis(2,6-dimethyl-4-pyridinyl)-6-(4,6-dimethylpyrimidin-2-yl)pyren-1-yl]-4,6-dimethylpyrimidine;4-[3,6-bis(2,6-dimethyl-4-pyridinyl)-8-(2,4,6-trimethylphenyl)pyren-1-yl]-2,6-dimethylpyridine;[4-[3-[4,6-bis(2-methylbutan-2-yl)-1,3,5-triazin-2-yl]-6,8-bis(2-methyl-4-trimethylsilylphenyl)pyren-1-yl]-3-methylphenyl]-trimethylsilane;4,6-ditert-butyl-2-[7-(3,6-dimethyl-2-pyridinyl)-3,5-diphenylpyren-1-yl]pyrimidine;[8-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]-dimethyl-phenylsilane has a molecular weight of 3481.03 g/mol, XLogP of 61.16, 30 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,8-bis(2,6-dimethyl-4-pyridinyl)-6-(4,6-dimethylpyrimidin-2-yl)pyren-1-yl]-4,6-dimethylpyrimidine;4-[3,6-bis(2,6-dimethyl-4-pyridinyl)-8-(2,4,6-trimethylphenyl)pyren-1-yl]-2,6-dimethylpyridine;[4-[3-[4,6-bis(2-methylbutan-2-yl)-1,3,5-triazin-2-yl]-6,8-bis(2-methyl-4-trimethylsilylphenyl)pyren-1-yl]-3-methylphenyl]-trimethylsilane;4,6-ditert-butyl-2-[7-(3,6-dimethyl-2-pyridinyl)-3,5-diphenylpyren-1-yl]pyrimidine;[8-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 160997211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).