trisodium;1,4-bis(bromomethyl)benzene;bis(1,4-bis(phosphorosooxymethyl)benzene);1-(bromomethyl)-4-methylbenzene;bis(1-(bromomethyl)-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);ethoxyethane;hydride;methane;4-methylbenzaldehyde;bis(1-methyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene;bis(1-methyl-4-(phosphorosooxymethyl)benzene);1-methyl-4-[(E)-2-[4-(phosphorosooxymethyl)phenyl]ethenyl]benzene;molecular hydrogen;bis(4-[(E)-2-phenylethenyl]benzaldehyde);bis(tetrachloromethane);bis(triethyl phosphate)

C276H317Br5Cl8Na3O32P9 — CID 158076775

IUPACtrisodium;1,4-bis(bromomethyl)benzene;bis(1,4-bis(phosphorosooxymethyl)benzene);1-(bromomethyl)-4-methylbenzene;bis(1-(bromomethyl)-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);ethoxyethane;hydride;methane;4-methylbenzaldehyde;bis(1-methyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene;bis(1-methyl-4-(phosphorosooxymethyl)benzene);1-methyl-4-[(E)-2-[4-(phosphorosooxymethyl)phenyl]ethenyl]benzene;molecular hydrogen;bis(4-[(E)-2-phenylethenyl]benzaldehyde);bis(tetrachloromethane);bis(triethyl phosphate)
SMILESBrCc1ccc(/C=C/c2ccc(/C=C/c3ccccc3)cc2)cc1.BrCc1ccc(/C=C/c2ccc(/C=C/c3ccccc3)cc2)cc1.BrCc1ccc(CBr)cc1.C.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOP(=O)(OCC)OCC.CCOP(=O)(OCC)OCC.Cc1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(/C=C/c5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(/C=C/c3ccccc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(/C=C/c3ccccc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(COP=O)cc2)cc1.Cc1ccc(C=O)cc1.Cc1ccc(CBr)cc1.Cc1ccc(COP=O)cc1.Cc1ccc(COP=O)cc1.ClC(Cl)(Cl)Cl.ClC(Cl)(Cl)Cl.O=Cc1ccc(/C=C/c2ccccc2)cc1.O=Cc1ccc(/C=C/c2ccccc2)cc1.O=POCc1ccc(COP=O)cc1.O=POCc1ccc(COP=O)cc1.[H-].[H-].[H-].[H][H].[Na+].[Na+].[Na+]
InChIInChI=1S/C39H32.2C23H19Br.2C23H20.C16H15O2P.2C15H12O.C8H8Br2.C8H9Br.2C8H8O4P2.2C8H9O2P.C8H8O.2C6H15O4P.7C4H10O.2CCl4.CH4.3Na.H2.3H/c1-31-7-9-33(10-8-31)13-14-35-19-21-37(22-20-35)25-26-39-29-27-38(28-30-39)24-23-36-17-15-34(16-18-36)12-11-32-5-3-2-4-6-32;2*24-18-23-16-14-22(15-17-23)13-12-21-10-8-20(9-11-21)7-6-19-4-2-1-3-5-19;2*1-19-7-9-21(10-8-19)13-14-23-17-15-22(16-18-23)12-11-20-5-3-2-4-6-20;1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)12-18-19-17;2*16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13;9-5-7-1-2-8(6-10)4-3-7;1-7-2-4-8(6-9)5-3-7;2*9-13-11-5-7-1-2-8(4-3-7)6-12-14-10;2*1-7-2-4-8(5-3-7)6-10-11-9;1-7-2-4-8(6-9)5-3-7;2*1-4-8-11(7,9-5-2)10-6-3;7*1-3-5-4-2;2*2-1(3,4)5;;;;;;;;/h2-30H,1H3;2*1-17H,18H2;2*2-18H,1H3;2-11H,12H2,1H3;2*1-12H;1-4H,5-6H2;2-5H,6H2,1H3;2*1-4H,5-6H2;2*2-5H,6H2,1H3;2-6H,1H3;2*4-6H2,1-3H3;7*3-4H2,1-2H3;;;1H4;;;;1H;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;;3*-1/b12-11+,14-13+,24-23+,26-25+;2*7-6+,13-12+;2*12-11+,14-13+;3*7-6+;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyFKQKWNRRCSVHSD-KUEFOQQVSA-N
MW5177.42 g/mol
LogP78.34
Rot. Bonds85

About trisodium;1,4-bis(bromomethyl)benzene;bis(1,4-bis(phosphorosooxymethyl)benzene);1-(bromomethyl)-4-methylbenzene;bis(1-(bromomethyl)-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);ethoxyethane;hydride;methane;4-methylbenzaldehyde;bis(1-methyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene;bis(1-methyl-4-(phosphorosooxymethyl)benzene);1-methyl-4-[(E)-2-[4-(phosphorosooxymethyl)phenyl]ethenyl]benzene;molecular hydrogen;bis(4-[(E)-2-phenylethenyl]benzaldehyde);bis(tetrachloromethane);bis(triethyl phosphate)

trisodium;1,4-bis(bromomethyl)benzene;bis(1,4-bis(phosphorosooxymethyl)benzene);1-(bromomethyl)-4-methylbenzene;bis(1-(bromomethyl)-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);ethoxyethane;hydride;methane;4-methylbenzaldehyde;bis(1-methyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene;bis(1-methyl-4-(phosphorosooxymethyl)benzene);1-methyl-4-[(E)-2-[4-(phosphorosooxymethyl)phenyl]ethenyl]benzene;molecular hydrogen;bis(4-[(E)-2-phenylethenyl]benzaldehyde);bis(tetrachloromethane);bis(triethyl phosphate) (PubChem CID 158076775) has the molecular formula C276H317Br5Cl8Na3O32P9 and a molecular weight of 5177.42 g/mol. Its IUPAC name is trisodium;1,4-bis(bromomethyl)benzene;bis(1,4-bis(phosphorosooxymethyl)benzene);1-(bromomethyl)-4-methylbenzene;bis(1-(bromomethyl)-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);ethoxyethane;hydride;methane;4-methylbenzaldehyde;bis(1-methyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene;bis(1-methyl-4-(phosphorosooxymethyl)benzene);1-methyl-4-[(E)-2-[4-(phosphorosooxymethyl)phenyl]ethenyl]benzene;molecular hydrogen;bis(4-[(E)-2-phenylethenyl]benzaldehyde);bis(tetrachloromethane);bis(triethyl phosphate).

Molecular Properties

Compound Nametrisodium;1,4-bis(bromomethyl)benzene;bis(1,4-bis(phosphorosooxymethyl)benzene);1-(bromomethyl)-4-methylbenzene;bis(1-(bromomethyl)-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);ethoxyethane;hydride;methane;4-methylbenzaldehyde;bis(1-methyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene;bis(1-methyl-4-(phosphorosooxymethyl)benzene);1-methyl-4-[(E)-2-[4-(phosphorosooxymethyl)phenyl]ethenyl]benzene;molecular hydrogen;bis(4-[(E)-2-phenylethenyl]benzaldehyde);bis(tetrachloromethane);bis(triethyl phosphate)
PubChem CID158076775
Molecular FormulaC276H317Br5Cl8Na3O32P9
Molecular Weight5177.42 g/mol
Exact Mass5165.39
IUPAC Nametrisodium;1,4-bis(bromomethyl)benzene;bis(1,4-bis(phosphorosooxymethyl)benzene);1-(bromomethyl)-4-methylbenzene;bis(1-(bromomethyl)-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);ethoxyethane;hydride;methane;4-methylbenzaldehyde;bis(1-methyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene;bis(1-methyl-4-(phosphorosooxymethyl)benzene);1-methyl-4-[(E)-2-[4-(phosphorosooxymethyl)phenyl]ethenyl]benzene;molecular hydrogen;bis(4-[(E)-2-phenylethenyl]benzaldehyde);bis(tetrachloromethane);bis(triethyl phosphate)
SMILESBrCc1ccc(/C=C/c2ccc(/C=C/c3ccccc3)cc2)cc1.BrCc1ccc(/C=C/c2ccc(/C=C/c3ccccc3)cc2)cc1.BrCc1ccc(CBr)cc1.C.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOP(=O)(OCC)OCC.CCOP(=O)(OCC)OCC.Cc1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(/C=C/c5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(/C=C/c3ccccc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(/C=C/c3ccccc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(COP=O)cc2)cc1.Cc1ccc(C=O)cc1.Cc1ccc(CBr)cc1.Cc1ccc(COP=O)cc1.Cc1ccc(COP=O)cc1.ClC(Cl)(Cl)Cl.ClC(Cl)(Cl)Cl.O=Cc1ccc(/C=C/c2ccccc2)cc1.O=Cc1ccc(/C=C/c2ccccc2)cc1.O=POCc1ccc(COP=O)cc1.O=POCc1ccc(COP=O)cc1.[H-].[H-].[H-].[H][H].[Na+].[Na+].[Na+]
InChIInChI=1S/C39H32.2C23H19Br.2C23H20.C16H15O2P.2C15H12O.C8H8Br2.C8H9Br.2C8H8O4P2.2C8H9O2P.C8H8O.2C6H15O4P.7C4H10O.2CCl4.CH4.3Na.H2.3H/c1-31-7-9-33(10-8-31)13-14-35-19-21-37(22-20-35)25-26-39-29-27-38(28-30-39)24-23-36-17-15-34(16-18-36)12-11-32-5-3-2-4-6-32;2*24-18-23-16-14-22(15-17-23)13-12-21-10-8-20(9-11-21)7-6-19-4-2-1-3-5-19;2*1-19-7-9-21(10-8-19)13-14-23-17-15-22(16-18-23)12-11-20-5-3-2-4-6-20;1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)12-18-19-17;2*16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13;9-5-7-1-2-8(6-10)4-3-7;1-7-2-4-8(6-9)5-3-7;2*9-13-11-5-7-1-2-8(4-3-7)6-12-14-10;2*1-7-2-4-8(5-3-7)6-10-11-9;1-7-2-4-8(6-9)5-3-7;2*1-4-8-11(7,9-5-2)10-6-3;7*1-3-5-4-2;2*2-1(3,4)5;;;;;;;;/h2-30H,1H3;2*1-17H,18H2;2*2-18H,1H3;2-11H,12H2,1H3;2*1-12H;1-4H,5-6H2;2-5H,6H2,1H3;2*1-4H,5-6H2;2*2-5H,6H2,1H3;2-6H,1H3;2*4-6H2,1-3H3;7*3-4H2,1-2H3;;;1H4;;;;1H;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;;3*-1/b12-11+,14-13+,24-23+,26-25+;2*7-6+,13-12+;2*12-11+,14-13+;3*7-6+;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyFKQKWNRRCSVHSD-KUEFOQQVSA-N
XLogP78.34
TPSA389.44 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds85
Heavy Atoms333
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005177.42
LogP ≤ 578.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze trisodium;1,4-bis(bromomethyl)benzene;bis(1,4-bis(phosphorosooxymethyl)benzene);1-(bromomethyl)-4-methylbenzene;bis(1-(bromomethyl)-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);ethoxyethane;hydride;methane;4-methylbenzaldehyde;bis(1-methyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene;bis(1-methyl-4-(phosphorosooxymethyl)benzene);1-methyl-4-[(E)-2-[4-(phosphorosooxymethyl)phenyl]ethenyl]benzene;molecular hydrogen;bis(4-[(E)-2-phenylethenyl]benzaldehyde);bis(tetrachloromethane);bis(triethyl phosphate) with MolForge

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Related Compounds

benzene-1,3-dicarbaldehyde;1,3-bis[(E)-2-phenylethenyl]benzene;ethane;ethoxyethane;phosphorosooxymethylbenzene
CID 160787203
4-(phosphorosooxymethyl)benzaldehyde
CID 153444491
9,10-bis(diethoxyphosphorylmethyl)anthracene;4-(N-(4-formylphenyl)-4-methylanilino)benzaldehyde;methane;4-methyl-N-[4-[2-[10-(2-phenylethenyl)anthracen-9-yl]ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]aniline
CID 159250783
potassium;6,15-bis[(E)-2-(4-methylphenyl)ethenyl]-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;deuterio(fluoro)methane;ethoxyethane;1-methyl-4-(phosphorosooxymethyl)benzene;2-methylpropan-2-olate;5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-dicarbaldehyde
CID 158605336
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
4-(ethoxymethoxymethyl)benzaldehyde
CID 170993765
4-[(E)-2-[4-[[4-[(E)-2-(4-formylphenyl)ethenyl]phenyl]-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]phosphoryl]phenyl]ethenyl]benzaldehyde
CID 58942099
bromomethylbenzene;diethoxyphosphorylmethylbenzene;1-methoxy-3-methyl-5-[(E)-2-phenylethenyl]benzene;3-methoxy-5-[(E)-2-phenylethenyl]phenol
CID 160779593
1-(ethoxymethyl)-4-methylbenzene
CID 12727419
sodium;hydride;4-methylbenzaldehyde
CID 173013137
benzaldehyde;4-chlorobenzaldehyde;4-methylbenzaldehyde
CID 158703985
ethoxymethylbenzene;methane;1-methyl-4-methylsulfonylbenzene
CID 161269952

Frequently Asked Questions

What is the IUPAC name of trisodium;1,4-bis(bromomethyl)benzene;bis(1,4-bis(phosphorosooxymethyl)benzene);1-(bromomethyl)-4-methylbenzene;bis(1-(bromomethyl)-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);ethoxyethane;hydride;methane;4-methylbenzaldehyde;bis(1-methyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene;bis(1-methyl-4-(phosphorosooxymethyl)benzene);1-methyl-4-[(E)-2-[4-(phosphorosooxymethyl)phenyl]ethenyl]benzene;molecular hydrogen;bis(4-[(E)-2-phenylethenyl]benzaldehyde);bis(tetrachloromethane);bis(triethyl phosphate)?
The IUPAC name of trisodium;1,4-bis(bromomethyl)benzene;bis(1,4-bis(phosphorosooxymethyl)benzene);1-(bromomethyl)-4-methylbenzene;bis(1-(bromomethyl)-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);ethoxyethane;hydride;methane;4-methylbenzaldehyde;bis(1-methyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene;bis(1-methyl-4-(phosphorosooxymethyl)benzene);1-methyl-4-[(E)-2-[4-(phosphorosooxymethyl)phenyl]ethenyl]benzene;molecular hydrogen;bis(4-[(E)-2-phenylethenyl]benzaldehyde);bis(tetrachloromethane);bis(triethyl phosphate) (CID 158076775) is trisodium;1,4-bis(bromomethyl)benzene;bis(1,4-bis(phosphorosooxymethyl)benzene);1-(bromomethyl)-4-methylbenzene;bis(1-(bromomethyl)-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);ethoxyethane;hydride;methane;4-methylbenzaldehyde;bis(1-methyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene;bis(1-methyl-4-(phosphorosooxymethyl)benzene);1-methyl-4-[(E)-2-[4-(phosphorosooxymethyl)phenyl]ethenyl]benzene;molecular hydrogen;bis(4-[(E)-2-phenylethenyl]benzaldehyde);bis(tetrachloromethane);bis(triethyl phosphate).
What is the SMILES notation for trisodium;1,4-bis(bromomethyl)benzene;bis(1,4-bis(phosphorosooxymethyl)benzene);1-(bromomethyl)-4-methylbenzene;bis(1-(bromomethyl)-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);ethoxyethane;hydride;methane;4-methylbenzaldehyde;bis(1-methyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene;bis(1-methyl-4-(phosphorosooxymethyl)benzene);1-methyl-4-[(E)-2-[4-(phosphorosooxymethyl)phenyl]ethenyl]benzene;molecular hydrogen;bis(4-[(E)-2-phenylethenyl]benzaldehyde);bis(tetrachloromethane);bis(triethyl phosphate)?
The canonical SMILES for trisodium;1,4-bis(bromomethyl)benzene;bis(1,4-bis(phosphorosooxymethyl)benzene);1-(bromomethyl)-4-methylbenzene;bis(1-(bromomethyl)-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);ethoxyethane;hydride;methane;4-methylbenzaldehyde;bis(1-methyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene;bis(1-methyl-4-(phosphorosooxymethyl)benzene);1-methyl-4-[(E)-2-[4-(phosphorosooxymethyl)phenyl]ethenyl]benzene;molecular hydrogen;bis(4-[(E)-2-phenylethenyl]benzaldehyde);bis(tetrachloromethane);bis(triethyl phosphate) is BrCc1ccc(/C=C/c2ccc(/C=C/c3ccccc3)cc2)cc1.BrCc1ccc(/C=C/c2ccc(/C=C/c3ccccc3)cc2)cc1.BrCc1ccc(CBr)cc1.C.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOP(=O)(OCC)OCC.CCOP(=O)(OCC)OCC.Cc1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(/C=C/c5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(/C=C/c3ccccc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(/C=C/c3ccccc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(COP=O)cc2)cc1.Cc1ccc(C=O)cc1.Cc1ccc(CBr)cc1.Cc1ccc(COP=O)cc1.Cc1ccc(COP=O)cc1.ClC(Cl)(Cl)Cl.ClC(Cl)(Cl)Cl.O=Cc1ccc(/C=C/c2ccccc2)cc1.O=Cc1ccc(/C=C/c2ccccc2)cc1.O=POCc1ccc(COP=O)cc1.O=POCc1ccc(COP=O)cc1.[H-].[H-].[H-].[H][H].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;1,4-bis(bromomethyl)benzene;bis(1,4-bis(phosphorosooxymethyl)benzene);1-(bromomethyl)-4-methylbenzene;bis(1-(bromomethyl)-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);ethoxyethane;hydride;methane;4-methylbenzaldehyde;bis(1-methyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene;bis(1-methyl-4-(phosphorosooxymethyl)benzene);1-methyl-4-[(E)-2-[4-(phosphorosooxymethyl)phenyl]ethenyl]benzene;molecular hydrogen;bis(4-[(E)-2-phenylethenyl]benzaldehyde);bis(tetrachloromethane);bis(triethyl phosphate)?
The InChIKey is FKQKWNRRCSVHSD-KUEFOQQVSA-N. The full InChI is InChI=1S/C39H32.2C23H19Br.2C23H20.C16H15O2P.2C15H12O.C8H8Br2.C8H9Br.2C8H8O4P2.2C8H9O2P.C8H8O.2C6H15O4P.7C4H10O.2CCl4.CH4.3Na.H2.3H/c1-31-7-9-33(10-8-31)13-14-35-19-21-37(22-20-35)25-26-39-29-27-38(28-30-39)24-23-36-17-15-34(16-18-36)12-11-32-5-3-2-4-6-32;2*24-18-23-16-14-22(15-17-23)13-12-21-10-8-20(9-11-21)7-6-19-4-2-1-3-5-19;2*1-19-7-9-21(10-8-19)13-14-23-17-15-22(16-18-23)12-11-20-5-3-2-4-6-20;1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)12-18-19-17;2*16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13;9-5-7-1-2-8(6-10)4-3-7;1-7-2-4-8(6-9)5-3-7;2*9-13-11-5-7-1-2-8(4-3-7)6-12-14-10;2*1-7-2-4-8(5-3-7)6-10-11-9;1-7-2-4-8(6-9)5-3-7;2*1-4-8-11(7,9-5-2)10-6-3;7*1-3-5-4-2;2*2-1(3,4)5;;;;;;;;/h2-30H,1H3;2*1-17H,18H2;2*2-18H,1H3;2-11H,12H2,1H3;2*1-12H;1-4H,5-6H2;2-5H,6H2,1H3;2*1-4H,5-6H2;2*2-5H,6H2,1H3;2-6H,1H3;2*4-6H2,1-3H3;7*3-4H2,1-2H3;;;1H4;;;;1H;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;;3*-1/b12-11+,14-13+,24-23+,26-25+;2*7-6+,13-12+;2*12-11+,14-13+;3*7-6+;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of trisodium;1,4-bis(bromomethyl)benzene;bis(1,4-bis(phosphorosooxymethyl)benzene);1-(bromomethyl)-4-methylbenzene;bis(1-(bromomethyl)-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);ethoxyethane;hydride;methane;4-methylbenzaldehyde;bis(1-methyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene;bis(1-methyl-4-(phosphorosooxymethyl)benzene);1-methyl-4-[(E)-2-[4-(phosphorosooxymethyl)phenyl]ethenyl]benzene;molecular hydrogen;bis(4-[(E)-2-phenylethenyl]benzaldehyde);bis(tetrachloromethane);bis(triethyl phosphate)?
trisodium;1,4-bis(bromomethyl)benzene;bis(1,4-bis(phosphorosooxymethyl)benzene);1-(bromomethyl)-4-methylbenzene;bis(1-(bromomethyl)-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);ethoxyethane;hydride;methane;4-methylbenzaldehyde;bis(1-methyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene;bis(1-methyl-4-(phosphorosooxymethyl)benzene);1-methyl-4-[(E)-2-[4-(phosphorosooxymethyl)phenyl]ethenyl]benzene;molecular hydrogen;bis(4-[(E)-2-phenylethenyl]benzaldehyde);bis(tetrachloromethane);bis(triethyl phosphate) has a molecular weight of 5177.42 g/mol, XLogP of 78.34, 85 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;1,4-bis(bromomethyl)benzene;bis(1,4-bis(phosphorosooxymethyl)benzene);1-(bromomethyl)-4-methylbenzene;bis(1-(bromomethyl)-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);ethoxyethane;hydride;methane;4-methylbenzaldehyde;bis(1-methyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]benzene);1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene;bis(1-methyl-4-(phosphorosooxymethyl)benzene);1-methyl-4-[(E)-2-[4-(phosphorosooxymethyl)phenyl]ethenyl]benzene;molecular hydrogen;bis(4-[(E)-2-phenylethenyl]benzaldehyde);bis(tetrachloromethane);bis(triethyl phosphate) is sourced from PubChem (CID 158076775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).