[2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite

C43H32O13P2 — CID 89185095

IUPAC[2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite
SMILESCOc1ccc(C(=O)c2ccc(OC)cc2OP(Oc2ccccc2C=O)Oc2ccccc2C=O)c(OP(Oc2ccccc2C=O)Oc2ccccc2C=O)c1
InChIInChI=1S/C43H32O13P2/c1-49-33-19-21-35(41(23-33)55-57(51-37-15-7-3-11-29(37)25-44)52-38-16-8-4-12-30(38)26-45)43(48)36-22-20-34(50-2)24-42(36)56-58(53-39-17-9-5-13-31(39)27-46)54-40-18-10-6-14-32(40)28-47/h3-28H,1-2H3
InChIKeyQUZSJUPZKHDURZ-UHFFFAOYSA-N
MW818.66 g/mol
LogP9.71
Rot. Bonds20

About [2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite

[2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite (PubChem CID 89185095) has the molecular formula C43H32O13P2 and a molecular weight of 818.66 g/mol. Its IUPAC name is [2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite.

Molecular Properties

Compound Name[2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite
PubChem CID89185095
Molecular FormulaC43H32O13P2
Molecular Weight818.66 g/mol
Exact Mass818.13
IUPAC Name[2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite
SMILESCOc1ccc(C(=O)c2ccc(OC)cc2OP(Oc2ccccc2C=O)Oc2ccccc2C=O)c(OP(Oc2ccccc2C=O)Oc2ccccc2C=O)c1
InChIInChI=1S/C43H32O13P2/c1-49-33-19-21-35(41(23-33)55-57(51-37-15-7-3-11-29(37)25-44)52-38-16-8-4-12-30(38)26-45)43(48)36-22-20-34(50-2)24-42(36)56-58(53-39-17-9-5-13-31(39)27-46)54-40-18-10-6-14-32(40)28-47/h3-28H,1-2H3
InChIKeyQUZSJUPZKHDURZ-UHFFFAOYSA-N
XLogP9.71
TPSA159.19 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500818.66
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite
CID 58931610
[2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite
CID 58931668
[2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite
CID 58931598
[2-[2-bis(2-tert-butylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] (2-tert-butylphenyl) (2-propan-2-ylphenyl) phosphite
CID 58640381
bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite
CID 58610847
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
[8-bis(2-formylphenoxy)phosphanyloxy-9-hydroxyanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite
CID 91203679
2-(2-acetyl-5-methoxyphenyl)benzaldehyde
CID 42645680
[2-[(2-formylphenoxy)-[2-(2-propylbenzoyl)phenoxy]phosphanyl]oxyphenyl] cyanate
CID 142850419
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172
bis(4-methoxy-2-prop-2-enoxyphenyl)methanone
CID 134843871
2-methoxy-4-(2-methoxybenzoyl)benzaldehyde
CID 10825897

Frequently Asked Questions

What is the IUPAC name of [2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite?
The IUPAC name of [2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite (CID 89185095) is [2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite.
What is the SMILES notation for [2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite?
The canonical SMILES for [2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite is COc1ccc(C(=O)c2ccc(OC)cc2OP(Oc2ccccc2C=O)Oc2ccccc2C=O)c(OP(Oc2ccccc2C=O)Oc2ccccc2C=O)c1.
What is the InChIKey of [2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite?
The InChIKey is QUZSJUPZKHDURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32O13P2/c1-49-33-19-21-35(41(23-33)55-57(51-37-15-7-3-11-29(37)25-44)52-38-16-8-4-12-30(38)26-45)43(48)36-22-20-34(50-2)24-42(36)56-58(53-39-17-9-5-13-31(39)27-46)54-40-18-10-6-14-32(40)28-47/h3-28H,1-2H3.
What are the key properties of [2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite?
[2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite has a molecular weight of 818.66 g/mol, XLogP of 9.71, 20 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite is sourced from PubChem (CID 89185095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).