bis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide

C216H274Br10O8P4-2 — CID 161260000

IUPACbis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide
SMILESBrCCCCCCCCCCBr.BrCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.BrCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1.C=CCc1ccc(O)c(-c2ccc(OCCCCCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(CC=C)c2)c1.C=CCc1ccc(OCCCCCCCCCCC)c(-c2ccc(O)c(CC=C)c2)c1.C=CCc1ccc(OCCCCCCCCCCC)c(-c2ccc(OCCCCCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(CC=C)c2)c1.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-]
InChIInChI=1S/C57H74O2P.C46H51O2P.C29H40O2.2C28H35BrP.C18H18O2.C10H20Br2.6BrH/c1-4-7-8-9-10-11-14-18-30-45-59-57-42-40-49(32-5-2)47-55(57)50-41-43-56(51(48-50)33-6-3)58-44-29-17-15-12-13-16-19-31-46-60(52-34-23-20-24-35-52,53-36-25-21-26-37-53)54-38-27-22-28-39-54;1-3-22-38-30-32-45(47)44(36-38)39-31-33-46(40(37-39)23-4-2)48-34-20-9-7-5-6-8-10-21-35-49(41-24-14-11-15-25-41,42-26-16-12-17-27-42)43-28-18-13-19-29-43;1-4-7-8-9-10-11-12-13-14-21-31-29-20-17-24(15-5-2)22-27(29)25-18-19-28(30)26(23-25)16-6-3;2*29-24-16-5-3-1-2-4-6-17-25-30(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28;1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2;11-9-7-5-3-1-2-4-6-8-10-12;;;;;;/h5-6,20-28,34-43,47-48H,2-4,7-19,29-33,44-46H2,1H3;3-4,11-19,24-33,36-37H,1-2,5-10,20-23,34-35H2;5-6,17-20,22-23,30H,2-4,7-16,21H2,1H3;2*7-15,18-23H,1-6,16-17,24-25H2;3-4,7-12,19-20H,1-2,5-6H2;1-10H2;6*1H/q+1;;;2*+1;;;;;;;;/p-5
InChIKeyMOIRNLDOFHZESJ-UHFFFAOYSA-I
MW3921.50 g/mol
LogP40.78
Rot. Bonds107

About bis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide

bis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide (PubChem CID 161260000) has the molecular formula C216H274Br10O8P4-2 and a molecular weight of 3921.50 g/mol. Its IUPAC name is bis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide.

Molecular Properties

Compound Namebis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide
PubChem CID161260000
Molecular FormulaC216H274Br10O8P4-2
Molecular Weight3921.50 g/mol
Exact Mass3909.18
IUPAC Namebis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide
SMILESBrCCCCCCCCCCBr.BrCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.BrCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1.C=CCc1ccc(O)c(-c2ccc(OCCCCCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(CC=C)c2)c1.C=CCc1ccc(OCCCCCCCCCCC)c(-c2ccc(O)c(CC=C)c2)c1.C=CCc1ccc(OCCCCCCCCCCC)c(-c2ccc(OCCCCCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(CC=C)c2)c1.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-]
InChIInChI=1S/C57H74O2P.C46H51O2P.C29H40O2.2C28H35BrP.C18H18O2.C10H20Br2.6BrH/c1-4-7-8-9-10-11-14-18-30-45-59-57-42-40-49(32-5-2)47-55(57)50-41-43-56(51(48-50)33-6-3)58-44-29-17-15-12-13-16-19-31-46-60(52-34-23-20-24-35-52,53-36-25-21-26-37-53)54-38-27-22-28-39-54;1-3-22-38-30-32-45(47)44(36-38)39-31-33-46(40(37-39)23-4-2)48-34-20-9-7-5-6-8-10-21-35-49(41-24-14-11-15-25-41,42-26-16-12-17-27-42)43-28-18-13-19-29-43;1-4-7-8-9-10-11-12-13-14-21-31-29-20-17-24(15-5-2)22-27(29)25-18-19-28(30)26(23-25)16-6-3;2*29-24-16-5-3-1-2-4-6-17-25-30(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28;1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2;11-9-7-5-3-1-2-4-6-8-10-12;;;;;;/h5-6,20-28,34-43,47-48H,2-4,7-19,29-33,44-46H2,1H3;3-4,11-19,24-33,36-37H,1-2,5-10,20-23,34-35H2;5-6,17-20,22-23,30H,2-4,7-16,21H2,1H3;2*7-15,18-23H,1-6,16-17,24-25H2;3-4,7-12,19-20H,1-2,5-6H2;1-10H2;6*1H/q+1;;;2*+1;;;;;;;;/p-5
InChIKeyMOIRNLDOFHZESJ-UHFFFAOYSA-I
XLogP40.78
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds107
Heavy Atoms238
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003921.50
LogP ≤ 540.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide?
The IUPAC name of bis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide (CID 161260000) is bis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide.
What is the SMILES notation for bis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide?
The canonical SMILES for bis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide is BrCCCCCCCCCCBr.BrCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.BrCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1.C=CCc1ccc(O)c(-c2ccc(OCCCCCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(CC=C)c2)c1.C=CCc1ccc(OCCCCCCCCCCC)c(-c2ccc(O)c(CC=C)c2)c1.C=CCc1ccc(OCCCCCCCCCCC)c(-c2ccc(OCCCCCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(CC=C)c2)c1.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].
What is the InChIKey of bis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide?
The InChIKey is MOIRNLDOFHZESJ-UHFFFAOYSA-I. The full InChI is InChI=1S/C57H74O2P.C46H51O2P.C29H40O2.2C28H35BrP.C18H18O2.C10H20Br2.6BrH/c1-4-7-8-9-10-11-14-18-30-45-59-57-42-40-49(32-5-2)47-55(57)50-41-43-56(51(48-50)33-6-3)58-44-29-17-15-12-13-16-19-31-46-60(52-34-23-20-24-35-52,53-36-25-21-26-37-53)54-38-27-22-28-39-54;1-3-22-38-30-32-45(47)44(36-38)39-31-33-46(40(37-39)23-4-2)48-34-20-9-7-5-6-8-10-21-35-49(41-24-14-11-15-25-41,42-26-16-12-17-27-42)43-28-18-13-19-29-43;1-4-7-8-9-10-11-12-13-14-21-31-29-20-17-24(15-5-2)22-27(29)25-18-19-28(30)26(23-25)16-6-3;2*29-24-16-5-3-1-2-4-6-17-25-30(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28;1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2;11-9-7-5-3-1-2-4-6-8-10-12;;;;;;/h5-6,20-28,34-43,47-48H,2-4,7-19,29-33,44-46H2,1H3;3-4,11-19,24-33,36-37H,1-2,5-10,20-23,34-35H2;5-6,17-20,22-23,30H,2-4,7-16,21H2,1H3;2*7-15,18-23H,1-6,16-17,24-25H2;3-4,7-12,19-20H,1-2,5-6H2;1-10H2;6*1H/q+1;;;2*+1;;;;;;;;/p-5.
What are the key properties of bis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide?
bis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide has a molecular weight of 3921.50 g/mol, XLogP of 40.78, 107 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide is sourced from PubChem (CID 161260000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).