pentakis(bis[(3E)-penta-1,3-dien-3-yl]-phenylsulfanium);bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1,3-difluoro-5-methyl-2,4,6-tri(propan-2-yl)benzene;bis(2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane);4-(2,2-difluoropropyl)tetracyclo[6.2.1.13,6.02,7]dodecane;5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,3-bis(1,1,1-trifluoropropan-2-yl)benzene;5-methoxy-2-methyl-1,3-di(propan-2-yl)benzene;6-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene;triphenylsulfanium

C251H320F20O3S8+8 — CID 159022699

About pentakis(bis[(3E)-penta-1,3-dien-3-yl]-phenylsulfanium);bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1,3-difluoro-5-methyl-2,4,6-tri(propan-2-yl)benzene;bis(2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane);4-(2,2-difluoropropyl)tetracyclo[6.2.1.13,6.02,7]dodecane;5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,3-bis(1,1,1-trifluoropropan-2-yl)benzene;5-methoxy-2-methyl-1,3-di(propan-2-yl)benzene;6-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene;triphenylsulfanium

pentakis(bis[(3E)-penta-1,3-dien-3-yl]-phenylsulfanium);bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1,3-difluoro-5-methyl-2,4,6-tri(propan-2-yl)benzene;bis(2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane);4-(2,2-difluoropropyl)tetracyclo[6.2.1.13,6.02,7]dodecane;5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,3-bis(1,1,1-trifluoropropan-2-yl)benzene;5-methoxy-2-methyl-1,3-di(propan-2-yl)benzene;6-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene;triphenylsulfanium (PubChem CID 159022699) has the molecular formula C251H320F20O3S8+8 and a molecular weight of 4021.81 g/mol. Its IUPAC name is pentakis(bis[(3E)-penta-1,3-dien-3-yl]-phenylsulfanium);bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1,3-difluoro-5-methyl-2,4,6-tri(propan-2-yl)benzene;bis(2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane);4-(2,2-difluoropropyl)tetracyclo[6.2.1.13,6.02,7]dodecane;5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,3-bis(1,1,1-trifluoropropan-2-yl)benzene;5-methoxy-2-methyl-1,3-di(propan-2-yl)benzene;6-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene;triphenylsulfanium.

Molecular Properties

• Compound Name: pentakis(bis[(3E)-penta-1,3-dien-3-yl]-phenylsulfanium);bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1,3-difluoro-5-methyl-2,4,6-tri(propan-2-yl)benzene;bis(2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane);4-(2,2-difluoropropyl)tetracyclo[6.2.1.13,6.02,7]dodecane;5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,3-bis(1,1,1-trifluoropropan-2-yl)benzene;5-methoxy-2-methyl-1,3-di(propan-2-yl)benzene;6-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene;triphenylsulfanium
• PubChem CID: 159022699
• Molecular Formula: C251H320F20O3S8+8
• Molecular Weight: 4021.81 g/mol
• Exact Mass: 4018.23
• IUPAC Name: pentakis(bis[(3E)-penta-1,3-dien-3-yl]-phenylsulfanium);bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1,3-difluoro-5-methyl-2,4,6-tri(propan-2-yl)benzene;bis(2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane);4-(2,2-difluoropropyl)tetracyclo[6.2.1.13,6.02,7]dodecane;5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,3-bis(1,1,1-trifluoropropan-2-yl)benzene;5-methoxy-2-methyl-1,3-di(propan-2-yl)benzene;6-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene;triphenylsulfanium
• SMILES: C=C/C(=C\C)[S+](/C(C=C)=C/C)c1ccccc1.C=C/C(=C\C)[S+](/C(C=C)=C/C)c1ccccc1.C=C/C(=C\C)[S+](/C(C=C)=C/C)c1ccccc1.C=C/C(=C\C)[S+](/C(C=C)=C/C)c1ccccc1.C=C/C(=C\C)[S+](/C(C=C)=C/C)c1ccccc1.CC(F)(F)CC1CC2CC1C1C3CCC(C3)C21.CC(F)(F)CC1CC2CCC1C2.CC(F)(F)CC1CC2CCC1C2.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.COc1cc(C(C)C)c(C)c(C(C)C)c1.Cc1c(C(C)C(F)(F)F)cc(C(C(F)(F)F)C(F)(F)F)cc1C(C)C(F)(F)F.Cc1c(C(C)C)c(F)c(C(C)C)c(F)c1C(C)C.Cc1c(C(C)C)cc(-c2ccccc2)cc1C(C)C.Cc1c(C(C)C)cc2c(c1C(C)C)CCCC2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C19H24.2C18H23OS.C18H15S.C17H26.C16H14F12.C16H24F2.5C16H19S.C15H22F2.C14H22O.2C10H16F2/c1-13(2)18-11-17(16-9-7-6-8-10-16)12-19(14(3)4)15(18)5;2*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(2)16-10-14-8-6-7-9-15(14)17(12(3)4)13(16)5;1-6-10(7(2)13(17,18)19)4-9(5-11(6)8(3)14(20,21)22)12(15(23,24)25)16(26,27)28;1-8(2)12-11(7)13(9(3)4)16(18)14(10(5)6)15(12)17;5*1-5-14(6-2)17(15(7-3)8-4)16-12-10-9-11-13-16;1-15(16,17)7-11-5-10-6-12(11)14-9-3-2-8(4-9)13(10)14;1-9(2)13-7-12(15-6)8-14(10(3)4)11(13)5;2*1-10(11,12)6-9-5-7-2-3-8(9)4-7/h6-14H,1-5H3;2*4-5,8-11H,2-3,6-7,12-14H2,1H3;1-15H;10-12H,6-9H2,1-5H3;4-5,7-8,12H,1-3H3;8-10H,1-7H3;5*5-13H,1,3H2,2,4H3;8-14H,2-7H2,1H3;7-10H,1-6H3;2*7-9H,2-6H2,1H3/q;3*+1;;;;5*+1;;;;/b;;;;;;;5*14-6+,15-8+
• InChIKey: JTWZBRGURLGQGT-XVYMENBXSA-N
• XLogP: 78.32
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 58
• Heavy Atoms: 282
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	4021.81
LogP ≤ 5	78.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of pentakis(bis[(3E)-penta-1,3-dien-3-yl]-phenylsulfanium);bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1,3-difluoro-5-methyl-2,4,6-tri(propan-2-yl)benzene;bis(2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane);4-(2,2-difluoropropyl)tetracyclo[6.2.1.13,6.02,7]dodecane;5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,3-bis(1,1,1-trifluoropropan-2-yl)benzene;5-methoxy-2-methyl-1,3-di(propan-2-yl)benzene;6-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene;triphenylsulfanium?

The IUPAC name of pentakis(bis[(3E)-penta-1,3-dien-3-yl]-phenylsulfanium);bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1,3-difluoro-5-methyl-2,4,6-tri(propan-2-yl)benzene;bis(2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane);4-(2,2-difluoropropyl)tetracyclo[6.2.1.13,6.02,7]dodecane;5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,3-bis(1,1,1-trifluoropropan-2-yl)benzene;5-methoxy-2-methyl-1,3-di(propan-2-yl)benzene;6-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene;triphenylsulfanium (CID 159022699) is pentakis(bis[(3E)-penta-1,3-dien-3-yl]-phenylsulfanium);bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1,3-difluoro-5-methyl-2,4,6-tri(propan-2-yl)benzene;bis(2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane);4-(2,2-difluoropropyl)tetracyclo[6.2.1.13,6.02,7]dodecane;5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,3-bis(1,1,1-trifluoropropan-2-yl)benzene;5-methoxy-2-methyl-1,3-di(propan-2-yl)benzene;6-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene;triphenylsulfanium.

What is the SMILES notation for pentakis(bis[(3E)-penta-1,3-dien-3-yl]-phenylsulfanium);bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1,3-difluoro-5-methyl-2,4,6-tri(propan-2-yl)benzene;bis(2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane);4-(2,2-difluoropropyl)tetracyclo[6.2.1.13,6.02,7]dodecane;5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,3-bis(1,1,1-trifluoropropan-2-yl)benzene;5-methoxy-2-methyl-1,3-di(propan-2-yl)benzene;6-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene;triphenylsulfanium?

The canonical SMILES for pentakis(bis[(3E)-penta-1,3-dien-3-yl]-phenylsulfanium);bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1,3-difluoro-5-methyl-2,4,6-tri(propan-2-yl)benzene;bis(2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane);4-(2,2-difluoropropyl)tetracyclo[6.2.1.13,6.02,7]dodecane;5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,3-bis(1,1,1-trifluoropropan-2-yl)benzene;5-methoxy-2-methyl-1,3-di(propan-2-yl)benzene;6-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene;triphenylsulfanium is C=C/C(=C\C)[S+](/C(C=C)=C/C)c1ccccc1.C=C/C(=C\C)[S+](/C(C=C)=C/C)c1ccccc1.C=C/C(=C\C)[S+](/C(C=C)=C/C)c1ccccc1.C=C/C(=C\C)[S+](/C(C=C)=C/C)c1ccccc1.C=C/C(=C\C)[S+](/C(C=C)=C/C)c1ccccc1.CC(F)(F)CC1CC2CC1C1C3CCC(C3)C21.CC(F)(F)CC1CC2CCC1C2.CC(F)(F)CC1CC2CCC1C2.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.COc1cc(C(C)C)c(C)c(C(C)C)c1.Cc1c(C(C)C(F)(F)F)cc(C(C(F)(F)F)C(F)(F)F)cc1C(C)C(F)(F)F.Cc1c(C(C)C)c(F)c(C(C)C)c(F)c1C(C)C.Cc1c(C(C)C)cc(-c2ccccc2)cc1C(C)C.Cc1c(C(C)C)cc2c(c1C(C)C)CCCC2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of pentakis(bis[(3E)-penta-1,3-dien-3-yl]-phenylsulfanium);bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1,3-difluoro-5-methyl-2,4,6-tri(propan-2-yl)benzene;bis(2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane);4-(2,2-difluoropropyl)tetracyclo[6.2.1.13,6.02,7]dodecane;5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,3-bis(1,1,1-trifluoropropan-2-yl)benzene;5-methoxy-2-methyl-1,3-di(propan-2-yl)benzene;6-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene;triphenylsulfanium?

The InChIKey is JTWZBRGURLGQGT-XVYMENBXSA-N. The full InChI is InChI=1S/C19H24.2C18H23OS.C18H15S.C17H26.C16H14F12.C16H24F2.5C16H19S.C15H22F2.C14H22O.2C10H16F2/c1-13(2)18-11-17(16-9-7-6-8-10-16)12-19(14(3)4)15(18)5;2*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(2)16-10-14-8-6-7-9-15(14)17(12(3)4)13(16)5;1-6-10(7(2)13(17,18)19)4-9(5-11(6)8(3)14(20,21)22)12(15(23,24)25)16(26,27)28;1-8(2)12-11(7)13(9(3)4)16(18)14(10(5)6)15(12)17;5*1-5-14(6-2)17(15(7-3)8-4)16-12-10-9-11-13-16;1-15(16,17)7-11-5-10-6-12(11)14-9-3-2-8(4-9)13(10)14;1-9(2)13-7-12(15-6)8-14(10(3)4)11(13)5;2*1-10(11,12)6-9-5-7-2-3-8(9)4-7/h6-14H,1-5H3;2*4-5,8-11H,2-3,6-7,12-14H2,1H3;1-15H;10-12H,6-9H2,1-5H3;4-5,7-8,12H,1-3H3;8-10H,1-7H3;5*5-13H,1,3H2,2,4H3;8-14H,2-7H2,1H3;7-10H,1-6H3;2*7-9H,2-6H2,1H3/q;3*+1;;;;5*+1;;;;/b;;;;;;;5*14-6+,15-8+;;;;.

What are the key properties of pentakis(bis[(3E)-penta-1,3-dien-3-yl]-phenylsulfanium);bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1,3-difluoro-5-methyl-2,4,6-tri(propan-2-yl)benzene;bis(2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane);4-(2,2-difluoropropyl)tetracyclo[6.2.1.13,6.02,7]dodecane;5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,3-bis(1,1,1-trifluoropropan-2-yl)benzene;5-methoxy-2-methyl-1,3-di(propan-2-yl)benzene;6-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene;triphenylsulfanium?

pentakis(bis[(3E)-penta-1,3-dien-3-yl]-phenylsulfanium);bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1,3-difluoro-5-methyl-2,4,6-tri(propan-2-yl)benzene;bis(2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane);4-(2,2-difluoropropyl)tetracyclo[6.2.1.13,6.02,7]dodecane;5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,3-bis(1,1,1-trifluoropropan-2-yl)benzene;5-methoxy-2-methyl-1,3-di(propan-2-yl)benzene;6-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene;triphenylsulfanium has a molecular weight of 4021.81 g/mol, XLogP of 78.32, 58 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(bis[(3E)-penta-1,3-dien-3-yl]-phenylsulfanium);bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1,3-difluoro-5-methyl-2,4,6-tri(propan-2-yl)benzene;bis(2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane);4-(2,2-difluoropropyl)tetracyclo[6.2.1.13,6.02,7]dodecane;5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,3-bis(1,1,1-trifluoropropan-2-yl)benzene;5-methoxy-2-methyl-1,3-di(propan-2-yl)benzene;6-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene;triphenylsulfanium is sourced from PubChem (CID 159022699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).