bis((3,8-dibromo-6-methylpyren-1-yl)-trimethylsilane);1,6-dibromopyrene;8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl trifluoromethanesulfonate;trimethyl-[6-methyl-4,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]silane;trimethyl-(6-methylpyren-1-yl)silane

C145H109Br6F3O6SSi4 — CID 159429387

IUPACbis((3,8-dibromo-6-methylpyren-1-yl)-trimethylsilane);1,6-dibromopyrene;8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl trifluoromethanesulfonate;trimethyl-[6-methyl-4,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]silane;trimethyl-(6-methylpyren-1-yl)silane
SMILESBrc1ccc2ccc3c(Br)ccc4ccc1c2c43.Cc1cc(-c2ccc3c4c(cccc24)Oc2ccccc2-3)c2ccc3c([Si](C)(C)C)ccc4c(-c5ccc6c7c(cccc57)Oc5ccccc5-6)cc1c2c43.Cc1cc(Br)c2ccc3c([Si](C)(C)C)cc(Br)c4ccc1c2c43.Cc1cc(Br)c2ccc3c([Si](C)(C)C)cc(Br)c4ccc1c2c43.Cc1ccc2ccc3c([Si](C)(C)C)ccc4ccc1c2c43.O=S(=O)(Oc1ccc2c3c(cccc13)Oc1ccccc1-2)C(F)(F)F
InChIInChI=1S/C52H36O2Si.2C20H18Br2Si.C20H20Si.C17H9F3O4S.C16H8Br2/c1-29-27-42(30-19-21-36-32-11-5-7-15-44(32)53-46-17-9-13-34(30)49(36)46)38-23-24-40-48(55(2,3)4)26-25-39-43(28-41(29)52(38)51(39)40)31-20-22-37-33-12-6-8-16-45(33)54-47-18-10-14-35(31)50(37)47;2*1-11-9-16(21)13-7-8-15-18(23(2,3)4)10-17(22)14-6-5-12(11)19(13)20(14)15;1-13-5-6-14-8-11-17-18(21(2,3)4)12-9-15-7-10-16(13)19(14)20(15)17;18-17(19,20)25(21,22)24-14-9-8-11-10-4-1-2-6-13(10)23-15-7-3-5-12(14)16(11)15;17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h5-28H,1-4H3;2*5-10H,1-4H3;5-12H,1-4H3;1-9H;1-8H
InChIKeyLQUFMVPUXINWPL-UHFFFAOYSA-N
MW2628.29 g/mol
LogP44.94
Rot. Bonds8

About bis((3,8-dibromo-6-methylpyren-1-yl)-trimethylsilane);1,6-dibromopyrene;8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl trifluoromethanesulfonate;trimethyl-[6-methyl-4,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]silane;trimethyl-(6-methylpyren-1-yl)silane

bis((3,8-dibromo-6-methylpyren-1-yl)-trimethylsilane);1,6-dibromopyrene;8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl trifluoromethanesulfonate;trimethyl-[6-methyl-4,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]silane;trimethyl-(6-methylpyren-1-yl)silane (PubChem CID 159429387) has the molecular formula C145H109Br6F3O6SSi4 and a molecular weight of 2628.29 g/mol. Its IUPAC name is bis((3,8-dibromo-6-methylpyren-1-yl)-trimethylsilane);1,6-dibromopyrene;8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl trifluoromethanesulfonate;trimethyl-[6-methyl-4,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]silane;trimethyl-(6-methylpyren-1-yl)silane.

Molecular Properties

Compound Namebis((3,8-dibromo-6-methylpyren-1-yl)-trimethylsilane);1,6-dibromopyrene;8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl trifluoromethanesulfonate;trimethyl-[6-methyl-4,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]silane;trimethyl-(6-methylpyren-1-yl)silane
PubChem CID159429387
Molecular FormulaC145H109Br6F3O6SSi4
Molecular Weight2628.29 g/mol
Exact Mass2620.21
IUPAC Namebis((3,8-dibromo-6-methylpyren-1-yl)-trimethylsilane);1,6-dibromopyrene;8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl trifluoromethanesulfonate;trimethyl-[6-methyl-4,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]silane;trimethyl-(6-methylpyren-1-yl)silane
SMILESBrc1ccc2ccc3c(Br)ccc4ccc1c2c43.Cc1cc(-c2ccc3c4c(cccc24)Oc2ccccc2-3)c2ccc3c([Si](C)(C)C)ccc4c(-c5ccc6c7c(cccc57)Oc5ccccc5-6)cc1c2c43.Cc1cc(Br)c2ccc3c([Si](C)(C)C)cc(Br)c4ccc1c2c43.Cc1cc(Br)c2ccc3c([Si](C)(C)C)cc(Br)c4ccc1c2c43.Cc1ccc2ccc3c([Si](C)(C)C)ccc4ccc1c2c43.O=S(=O)(Oc1ccc2c3c(cccc13)Oc1ccccc1-2)C(F)(F)F
InChIInChI=1S/C52H36O2Si.2C20H18Br2Si.C20H20Si.C17H9F3O4S.C16H8Br2/c1-29-27-42(30-19-21-36-32-11-5-7-15-44(32)53-46-17-9-13-34(30)49(36)46)38-23-24-40-48(55(2,3)4)26-25-39-43(28-41(29)52(38)51(39)40)31-20-22-37-33-12-6-8-16-45(33)54-47-18-10-14-35(31)50(37)47;2*1-11-9-16(21)13-7-8-15-18(23(2,3)4)10-17(22)14-6-5-12(11)19(13)20(14)15;1-13-5-6-14-8-11-17-18(21(2,3)4)12-9-15-7-10-16(13)19(14)20(15)17;18-17(19,20)25(21,22)24-14-9-8-11-10-4-1-2-6-13(10)23-15-7-3-5-12(14)16(11)15;17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h5-28H,1-4H3;2*5-10H,1-4H3;5-12H,1-4H3;1-9H;1-8H
InChIKeyLQUFMVPUXINWPL-UHFFFAOYSA-N
XLogP44.94
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002628.29
LogP ≤ 544.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze bis((3,8-dibromo-6-methylpyren-1-yl)-trimethylsilane);1,6-dibromopyrene;8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl trifluoromethanesulfonate;trimethyl-[6-methyl-4,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]silane;trimethyl-(6-methylpyren-1-yl)silane with MolForge

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Related Compounds

[3,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-6-trimethylsilylpyren-1-yl]-trimethylsilane
CID 140778864
(4-methylbenzo[c]phenanthren-1-yl) trifluoromethanesulfonate
CID 101000252
[2-[8-[2-(trifluoromethylsulfonyloxy)phenyl]pyren-1-yl]phenyl] trifluoromethanesulfonate
CID 11995483
(1-pyren-1-ylnaphthalen-2-yl) trifluoromethanesulfonate
CID 132538037
3-methyl-1,6-dinaphthalen-1-ylpyrene
CID 142716789
[1-(2-aminophenyl)benzo[a]oxanthren-11-yl] trifluoromethanesulfonate;15,25-dioxa-8-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaene;methane
CID 165027667
12-benzo[a]anthracen-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 171044531
12-(7-pyren-1-ylnaphthalen-1-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 171044941
12-(8-pyren-1-ylnaphthalen-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 171046271
5-[3,8-dinaphthalen-2-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3,8-dinaphthalen-2-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;14-[3,8-dinaphthalen-2-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 159495346
9-bromo-1-methylpyrene
CID 144757480
5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;14-[3,8-dinaphthalen-1-yl-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 161079574

Frequently Asked Questions

What is the IUPAC name of bis((3,8-dibromo-6-methylpyren-1-yl)-trimethylsilane);1,6-dibromopyrene;8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl trifluoromethanesulfonate;trimethyl-[6-methyl-4,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]silane;trimethyl-(6-methylpyren-1-yl)silane?
The IUPAC name of bis((3,8-dibromo-6-methylpyren-1-yl)-trimethylsilane);1,6-dibromopyrene;8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl trifluoromethanesulfonate;trimethyl-[6-methyl-4,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]silane;trimethyl-(6-methylpyren-1-yl)silane (CID 159429387) is bis((3,8-dibromo-6-methylpyren-1-yl)-trimethylsilane);1,6-dibromopyrene;8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl trifluoromethanesulfonate;trimethyl-[6-methyl-4,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]silane;trimethyl-(6-methylpyren-1-yl)silane.
What is the SMILES notation for bis((3,8-dibromo-6-methylpyren-1-yl)-trimethylsilane);1,6-dibromopyrene;8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl trifluoromethanesulfonate;trimethyl-[6-methyl-4,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]silane;trimethyl-(6-methylpyren-1-yl)silane?
The canonical SMILES for bis((3,8-dibromo-6-methylpyren-1-yl)-trimethylsilane);1,6-dibromopyrene;8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl trifluoromethanesulfonate;trimethyl-[6-methyl-4,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]silane;trimethyl-(6-methylpyren-1-yl)silane is Brc1ccc2ccc3c(Br)ccc4ccc1c2c43.Cc1cc(-c2ccc3c4c(cccc24)Oc2ccccc2-3)c2ccc3c([Si](C)(C)C)ccc4c(-c5ccc6c7c(cccc57)Oc5ccccc5-6)cc1c2c43.Cc1cc(Br)c2ccc3c([Si](C)(C)C)cc(Br)c4ccc1c2c43.Cc1cc(Br)c2ccc3c([Si](C)(C)C)cc(Br)c4ccc1c2c43.Cc1ccc2ccc3c([Si](C)(C)C)ccc4ccc1c2c43.O=S(=O)(Oc1ccc2c3c(cccc13)Oc1ccccc1-2)C(F)(F)F.
What is the InChIKey of bis((3,8-dibromo-6-methylpyren-1-yl)-trimethylsilane);1,6-dibromopyrene;8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl trifluoromethanesulfonate;trimethyl-[6-methyl-4,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]silane;trimethyl-(6-methylpyren-1-yl)silane?
The InChIKey is LQUFMVPUXINWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36O2Si.2C20H18Br2Si.C20H20Si.C17H9F3O4S.C16H8Br2/c1-29-27-42(30-19-21-36-32-11-5-7-15-44(32)53-46-17-9-13-34(30)49(36)46)38-23-24-40-48(55(2,3)4)26-25-39-43(28-41(29)52(38)51(39)40)31-20-22-37-33-12-6-8-16-45(33)54-47-18-10-14-35(31)50(37)47;2*1-11-9-16(21)13-7-8-15-18(23(2,3)4)10-17(22)14-6-5-12(11)19(13)20(14)15;1-13-5-6-14-8-11-17-18(21(2,3)4)12-9-15-7-10-16(13)19(14)20(15)17;18-17(19,20)25(21,22)24-14-9-8-11-10-4-1-2-6-13(10)23-15-7-3-5-12(14)16(11)15;17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h5-28H,1-4H3;2*5-10H,1-4H3;5-12H,1-4H3;1-9H;1-8H.
What are the key properties of bis((3,8-dibromo-6-methylpyren-1-yl)-trimethylsilane);1,6-dibromopyrene;8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl trifluoromethanesulfonate;trimethyl-[6-methyl-4,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]silane;trimethyl-(6-methylpyren-1-yl)silane?
bis((3,8-dibromo-6-methylpyren-1-yl)-trimethylsilane);1,6-dibromopyrene;8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl trifluoromethanesulfonate;trimethyl-[6-methyl-4,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]silane;trimethyl-(6-methylpyren-1-yl)silane has a molecular weight of 2628.29 g/mol, XLogP of 44.94, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3,8-dibromo-6-methylpyren-1-yl)-trimethylsilane);1,6-dibromopyrene;8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl trifluoromethanesulfonate;trimethyl-[6-methyl-4,8-bis(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)pyren-1-yl]silane;trimethyl-(6-methylpyren-1-yl)silane is sourced from PubChem (CID 159429387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).