bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite

C178H148N2O43P8S — CID 161027278

IUPACbis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite
SMILESCOc1cc(C=O)ccc1OP(OCc1cc(SC)cc(C)c1OP(Oc1ccc(C=O)cc1OC)Oc1ccc(C=O)cc1OC)Oc1ccc(C=O)cc1OC.COc1ccc(C(C)=O)c(OP(OCc2ccc([N+](=O)[O-])cc2OP(Oc2cc(OC)ccc2C(C)=O)Oc2cc(OC)ccc2C(C)=O)Oc2cc(OC)ccc2C(C)=O)c1.COc1cccc(COP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c1OP(Oc1cccc2ccccc12)Oc1cccc2ccccc12.c1cnc(COP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c(OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C48H36O7P2.C46H33NO6P2.C43H41NO16P2.C41H38O14P2S/c1-49-47-32-14-23-38(33-50-56(51-43-28-10-19-34-15-2-6-24-39(34)43)52-44-29-11-20-35-16-3-7-25-40(35)44)48(47)55-57(53-45-30-12-21-36-17-4-8-26-41(36)45)54-46-31-13-22-37-18-5-9-27-42(37)46;1-5-14-37-28-41(23-19-33(37)10-1)49-54(50-42-24-20-34-11-2-6-15-38(34)29-42)48-32-45-46(18-9-27-47-45)53-55(51-43-25-21-35-12-3-7-16-39(35)30-43)52-44-26-22-36-13-4-8-17-40(36)31-44;1-25(45)35-15-11-31(51-5)20-40(35)57-61(58-41-21-32(52-6)12-16-36(41)26(2)46)55-24-29-9-10-30(44(49)50)19-39(29)56-62(59-42-22-33(53-7)13-17-37(42)27(3)47)60-43-23-34(54-8)14-18-38(43)28(4)48;1-26-15-32(58-6)20-31(25-50-56(51-33-11-7-27(21-42)16-37(33)46-2)52-34-12-8-28(22-43)17-38(34)47-3)41(26)55-57(53-35-13-9-29(23-44)18-39(35)48-4)54-36-14-10-30(24-45)19-40(36)49-5/h2-32H,33H2,1H3;1-31H,32H2;9-23H,24H2,1-8H3;7-24H,25H2,1-6H3
InChIKeyTZDPURIIFWHTHO-UHFFFAOYSA-N
MW3282.97 g/mol
LogP47.10
Rot. Bonds71

About bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite

bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite (PubChem CID 161027278) has the molecular formula C178H148N2O43P8S and a molecular weight of 3282.97 g/mol. Its IUPAC name is bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite.

Molecular Properties

Compound Namebis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite
PubChem CID161027278
Molecular FormulaC178H148N2O43P8S
Molecular Weight3282.97 g/mol
Exact Mass3280.71
IUPAC Namebis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite
SMILESCOc1cc(C=O)ccc1OP(OCc1cc(SC)cc(C)c1OP(Oc1ccc(C=O)cc1OC)Oc1ccc(C=O)cc1OC)Oc1ccc(C=O)cc1OC.COc1ccc(C(C)=O)c(OP(OCc2ccc([N+](=O)[O-])cc2OP(Oc2cc(OC)ccc2C(C)=O)Oc2cc(OC)ccc2C(C)=O)Oc2cc(OC)ccc2C(C)=O)c1.COc1cccc(COP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c1OP(Oc1cccc2ccccc12)Oc1cccc2ccccc12.c1cnc(COP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c(OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C48H36O7P2.C46H33NO6P2.C43H41NO16P2.C41H38O14P2S/c1-49-47-32-14-23-38(33-50-56(51-43-28-10-19-34-15-2-6-24-39(34)43)52-44-29-11-20-35-16-3-7-25-40(35)44)48(47)55-57(53-45-30-12-21-36-17-4-8-26-41(36)45)54-46-31-13-22-37-18-5-9-27-42(37)46;1-5-14-37-28-41(23-19-33(37)10-1)49-54(50-42-24-20-34-11-2-6-15-38(34)29-42)48-32-45-46(18-9-27-47-45)53-55(51-43-25-21-35-12-3-7-16-39(35)30-43)52-44-26-22-36-13-4-8-17-40(36)31-44;1-25(45)35-15-11-31(51-5)20-40(35)57-61(58-41-21-32(52-6)12-16-36(41)26(2)46)55-24-29-9-10-30(44(49)50)19-39(29)56-62(59-42-22-33(53-7)13-17-37(42)27(3)47)60-43-23-34(54-8)14-18-38(43)28(4)48;1-26-15-32(58-6)20-31(25-50-56(51-33-11-7-27(21-42)16-37(33)46-2)52-34-12-8-28(22-43)17-38(34)47-3)41(26)55-57(53-35-13-9-29(23-44)18-39(35)48-4)54-36-14-10-30(24-45)19-40(36)49-5/h2-32H,33H2,1H3;1-31H,32H2;9-23H,24H2,1-8H3;7-24H,25H2,1-6H3
InChIKeyTZDPURIIFWHTHO-UHFFFAOYSA-N
XLogP47.10
TPSA497.18 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds71
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003282.97
LogP ≤ 547.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite with MolForge

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Related Compounds

[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] bis(4-formyl-2-methoxyphenyl) phosphite
CID 58610974
(2-dinaphthalen-2-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-2-yl phosphite
CID 58610891
1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone
CID 33079900
(2-acetyl-5-methoxyphenyl) (E)-3-(3-nitrophenyl)prop-2-enoate
CID 7987948
3-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile
CID 3961593
4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde
CID 43212533
3-methoxy-4-[2-(4-nitrophenoxy)ethoxy]benzaldehyde
CID 2293777
1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
CID 142794424
naphthalen-1-ylmethyl 2,4-dimethoxybenzoate
CID 2504618
4-acetyl-3-methoxybenzaldehyde
CID 14123550
2,6-dichloro-3-[(2-methoxy-4-nitrophenoxy)methyl]pyridine
CID 106994569
3-[(3-methyl-2-pyridinyl)methoxy]-4-nitrobenzaldehyde
CID 115886860

Frequently Asked Questions

What is the IUPAC name of bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite?
The IUPAC name of bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite (CID 161027278) is bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite.
What is the SMILES notation for bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite?
The canonical SMILES for bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite is COc1cc(C=O)ccc1OP(OCc1cc(SC)cc(C)c1OP(Oc1ccc(C=O)cc1OC)Oc1ccc(C=O)cc1OC)Oc1ccc(C=O)cc1OC.COc1ccc(C(C)=O)c(OP(OCc2ccc([N+](=O)[O-])cc2OP(Oc2cc(OC)ccc2C(C)=O)Oc2cc(OC)ccc2C(C)=O)Oc2cc(OC)ccc2C(C)=O)c1.COc1cccc(COP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c1OP(Oc1cccc2ccccc12)Oc1cccc2ccccc12.c1cnc(COP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c(OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)c1.
What is the InChIKey of bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite?
The InChIKey is TZDPURIIFWHTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36O7P2.C46H33NO6P2.C43H41NO16P2.C41H38O14P2S/c1-49-47-32-14-23-38(33-50-56(51-43-28-10-19-34-15-2-6-24-39(34)43)52-44-29-11-20-35-16-3-7-25-40(35)44)48(47)55-57(53-45-30-12-21-36-17-4-8-26-41(36)45)54-46-31-13-22-37-18-5-9-27-42(37)46;1-5-14-37-28-41(23-19-33(37)10-1)49-54(50-42-24-20-34-11-2-6-15-38(34)29-42)48-32-45-46(18-9-27-47-45)53-55(51-43-25-21-35-12-3-7-16-39(35)30-43)52-44-26-22-36-13-4-8-17-40(36)31-44;1-25(45)35-15-11-31(51-5)20-40(35)57-61(58-41-21-32(52-6)12-16-36(41)26(2)46)55-24-29-9-10-30(44(49)50)19-39(29)56-62(59-42-22-33(53-7)13-17-37(42)27(3)47)60-43-23-34(54-8)14-18-38(43)28(4)48;1-26-15-32(58-6)20-31(25-50-56(51-33-11-7-27(21-42)16-37(33)46-2)52-34-12-8-28(22-43)17-38(34)47-3)41(26)55-57(53-35-13-9-29(23-44)18-39(35)48-4)54-36-14-10-30(24-45)19-40(36)49-5/h2-32H,33H2,1H3;1-31H,32H2;9-23H,24H2,1-8H3;7-24H,25H2,1-6H3.
What are the key properties of bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite?
bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite has a molecular weight of 3282.97 g/mol, XLogP of 47.10, 71 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxymethyl]-5-nitrophenyl] phosphite;[2-[bis(4-formyl-2-methoxyphenoxy)phosphanyloxymethyl]-6-methyl-4-methylsulfanylphenyl] bis(4-formyl-2-methoxyphenyl) phosphite;(2-dinaphthalen-1-yloxyphosphanyloxy-3-methoxyphenyl)methyl dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)-3-pyridinyl] dinaphthalen-2-yl phosphite is sourced from PubChem (CID 161027278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).