[2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite

C34H26N4O8P2 — CID 58931598

IUPAC[2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite
SMILESCOc1ccc(C(=O)c2ccccc2OP(Oc2cccnc2)Oc2cccnc2)c(OP(Oc2cccnc2)Oc2cccnc2)c1
InChIInChI=1S/C34H26N4O8P2/c1-40-25-14-15-31(33(20-25)46-48(43-28-10-6-18-37-23-28)44-29-11-7-19-38-24-29)34(39)30-12-2-3-13-32(30)45-47(41-26-8-4-16-35-21-26)42-27-9-5-17-36-22-27/h2-24H,1H3
InChIKeyOITRTUQHQPVDLX-UHFFFAOYSA-N
MW680.55 g/mol
LogP8.03
Rot. Bonds15

About [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite

[2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite (PubChem CID 58931598) has the molecular formula C34H26N4O8P2 and a molecular weight of 680.55 g/mol. Its IUPAC name is [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite.

Molecular Properties

Compound Name[2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite
PubChem CID58931598
Molecular FormulaC34H26N4O8P2
Molecular Weight680.55 g/mol
Exact Mass680.12
IUPAC Name[2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite
SMILESCOc1ccc(C(=O)c2ccccc2OP(Oc2cccnc2)Oc2cccnc2)c(OP(Oc2cccnc2)Oc2cccnc2)c1
InChIInChI=1S/C34H26N4O8P2/c1-40-25-14-15-31(33(20-25)46-48(43-28-10-6-18-37-23-28)44-29-11-7-19-38-24-29)34(39)30-12-2-3-13-32(30)45-47(41-26-8-4-16-35-21-26)42-27-9-5-17-36-22-27/h2-24H,1H3
InChIKeyOITRTUQHQPVDLX-UHFFFAOYSA-N
XLogP8.03
TPSA133.24 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500680.55
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'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-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite
CID 89185095
bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite
CID 58610847
[2-[2-bis(2-tert-butylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] (2-tert-butylphenyl) (2-propan-2-ylphenyl) phosphite
CID 58640381
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172
(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 105079993
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
3-(2,4-dimethoxyphenyl)pyridine
CID 46316965
bis(5-methoxy-2-(4-methoxy-2-oxidobenzoyl)phenolate);tetrakis(oxygen(2-));tetrakis(pyridine);tungsten
CID 139041578

Frequently Asked Questions

What is the IUPAC name of [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite?
The IUPAC name of [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite (CID 58931598) is [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite.
What is the SMILES notation for [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite?
The canonical SMILES for [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite is COc1ccc(C(=O)c2ccccc2OP(Oc2cccnc2)Oc2cccnc2)c(OP(Oc2cccnc2)Oc2cccnc2)c1.
What is the InChIKey of [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite?
The InChIKey is OITRTUQHQPVDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4O8P2/c1-40-25-14-15-31(33(20-25)46-48(43-28-10-6-18-37-23-28)44-29-11-7-19-38-24-29)34(39)30-12-2-3-13-32(30)45-47(41-26-8-4-16-35-21-26)42-27-9-5-17-36-22-27/h2-24H,1H3.
What are the key properties of [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite?
[2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite has a molecular weight of 680.55 g/mol, XLogP of 8.03, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite is sourced from PubChem (CID 58931598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).