bis[(Z)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate;1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium

C68H69N6O14P — CID 11982899

IUPACbis[(Z)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate;1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium
SMILESCN1CC[n+]2ccccc21.COc1ccc(C(OC/C(=C/n2cc(C)c(=O)[nH]c2=O)COP(=O)([O-])OC/C(=C\n2cc(C)c(=O)[nH]c2=O)COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C60H59N4O14P.C8H11N2/c1-41-33-63(57(67)61-55(41)65)35-43(37-75-59(45-13-9-7-10-14-45,47-17-25-51(71-3)26-18-47)48-19-27-52(72-4)28-20-48)39-77-79(69,70)78-40-44(36-64-34-42(2)56(66)62-58(64)68)38-76-60(46-15-11-8-12-16-46,49-21-29-53(73-5)30-22-49)50-23-31-54(74-6)32-24-50;1-9-6-7-10-5-3-2-4-8(9)10/h7-36H,37-40H2,1-6H3,(H,69,70)(H,61,65,67)(H,62,66,68);2-5H,6-7H2,1H3/q;+1/p-1/b43-35-,44-36-;
InChIKeyQVKSGGNDNLYRCK-QFBPLBLESA-M
MW1225.30 g/mol
LogP8.36
Rot. Bonds24

About bis[(Z)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate;1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium

bis[(Z)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate;1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium (PubChem CID 11982899) has the molecular formula C68H69N6O14P and a molecular weight of 1225.30 g/mol. Its IUPAC name is bis[(Z)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate;1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Namebis[(Z)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate;1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium
PubChem CID11982899
Molecular FormulaC68H69N6O14P
Molecular Weight1225.30 g/mol
Exact Mass1224.46
IUPAC Namebis[(Z)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate;1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium
SMILESCN1CC[n+]2ccccc21.COc1ccc(C(OC/C(=C/n2cc(C)c(=O)[nH]c2=O)COP(=O)([O-])OC/C(=C\n2cc(C)c(=O)[nH]c2=O)COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C60H59N4O14P.C8H11N2/c1-41-33-63(57(67)61-55(41)65)35-43(37-75-59(45-13-9-7-10-14-45,47-17-25-51(71-3)26-18-47)48-19-27-52(72-4)28-20-48)39-77-79(69,70)78-40-44(36-64-34-42(2)56(66)62-58(64)68)38-76-60(46-15-11-8-12-16-46,49-21-29-53(73-5)30-22-49)50-23-31-54(74-6)32-24-50;1-9-6-7-10-5-3-2-4-8(9)10/h7-36H,37-40H2,1-6H3,(H,69,70)(H,61,65,67)(H,62,66,68);2-5H,6-7H2,1H3/q;+1/p-1/b43-35-,44-36-;
InChIKeyQVKSGGNDNLYRCK-QFBPLBLESA-M
XLogP8.36
TPSA230.81 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001225.30
LogP ≤ 58.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze bis[(Z)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate;1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium with MolForge

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Related Compounds

sodium bis[(Z)-2-(hydroxymethyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate
CID 23681372
[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phenyl hydrogen phosphate
CID 10898094
[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxophosphanium
CID 14606960
1-[[(2S,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 10745415
1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11274485
1-[(2S,3S,4S,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 96568104
methoxy-[(2R,3S,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]sulfanylphosphinic acid
CID 10484057
1-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(difluorophosphoryloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10031919
[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] (3,4-dichlorophenyl) hydrogen phosphate
CID 11768100
1-[(2R,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7072407
1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4-methoxyphenyl)-diphenylmethoxy]oxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10007969
1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[hydroxy-(2,4,6-trichlorophenoxy)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10975060

Frequently Asked Questions

What is the IUPAC name of bis[(Z)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate;1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium?
The IUPAC name of bis[(Z)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate;1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium (CID 11982899) is bis[(Z)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate;1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for bis[(Z)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate;1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for bis[(Z)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate;1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium is CN1CC[n+]2ccccc21.COc1ccc(C(OC/C(=C/n2cc(C)c(=O)[nH]c2=O)COP(=O)([O-])OC/C(=C\n2cc(C)c(=O)[nH]c2=O)COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of bis[(Z)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate;1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium?
The InChIKey is QVKSGGNDNLYRCK-QFBPLBLESA-M. The full InChI is InChI=1S/C60H59N4O14P.C8H11N2/c1-41-33-63(57(67)61-55(41)65)35-43(37-75-59(45-13-9-7-10-14-45,47-17-25-51(71-3)26-18-47)48-19-27-52(72-4)28-20-48)39-77-79(69,70)78-40-44(36-64-34-42(2)56(66)62-58(64)68)38-76-60(46-15-11-8-12-16-46,49-21-29-53(73-5)30-22-49)50-23-31-54(74-6)32-24-50;1-9-6-7-10-5-3-2-4-8(9)10/h7-36H,37-40H2,1-6H3,(H,69,70)(H,61,65,67)(H,62,66,68);2-5H,6-7H2,1H3/q;+1/p-1/b43-35-,44-36-;.
What are the key properties of bis[(Z)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate;1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium?
bis[(Z)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate;1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium has a molecular weight of 1225.30 g/mol, XLogP of 8.36, 24 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(Z)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate;1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 11982899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).