[2-[bis(2-formylphenoxy)phosphanyloxymethyl]phenyl] bis(2-formylphenyl) phosphite

C35H26O10P2 — CID 58611063

IUPAC[2-[bis(2-formylphenoxy)phosphanyloxymethyl]phenyl] bis(2-formylphenyl) phosphite
SMILESO=Cc1ccccc1OP(OCc1ccccc1OP(Oc1ccccc1C=O)Oc1ccccc1C=O)Oc1ccccc1C=O
InChIInChI=1S/C35H26O10P2/c36-21-26-11-1-6-16-31(26)41-46(42-32-17-7-2-12-27(32)22-37)40-25-30-15-5-10-20-35(30)45-47(43-33-18-8-3-13-28(33)23-38)44-34-19-9-4-14-29(34)24-39/h1-24H,25H2
InChIKeyVRQJHRVXMILPGT-UHFFFAOYSA-N
MW668.53 g/mol
LogP8.60
Rot. Bonds17

About [2-[bis(2-formylphenoxy)phosphanyloxymethyl]phenyl] bis(2-formylphenyl) phosphite

[2-[bis(2-formylphenoxy)phosphanyloxymethyl]phenyl] bis(2-formylphenyl) phosphite (PubChem CID 58611063) has the molecular formula C35H26O10P2 and a molecular weight of 668.53 g/mol. Its IUPAC name is [2-[bis(2-formylphenoxy)phosphanyloxymethyl]phenyl] bis(2-formylphenyl) phosphite.

Molecular Properties

Compound Name[2-[bis(2-formylphenoxy)phosphanyloxymethyl]phenyl] bis(2-formylphenyl) phosphite
PubChem CID58611063
Molecular FormulaC35H26O10P2
Molecular Weight668.53 g/mol
Exact Mass668.10
IUPAC Name[2-[bis(2-formylphenoxy)phosphanyloxymethyl]phenyl] bis(2-formylphenyl) phosphite
SMILESO=Cc1ccccc1OP(OCc1ccccc1OP(Oc1ccccc1C=O)Oc1ccccc1C=O)Oc1ccccc1C=O
InChIInChI=1S/C35H26O10P2/c36-21-26-11-1-6-16-31(26)41-46(42-32-17-7-2-12-27(32)22-37)40-25-30-15-5-10-20-35(30)45-47(43-33-18-8-3-13-28(33)23-38)44-34-19-9-4-14-29(34)24-39/h1-24H,25H2
InChIKeyVRQJHRVXMILPGT-UHFFFAOYSA-N
XLogP8.60
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.53
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite
CID 89185135
2-[[2-(hydroxymethyl)phenoxy]-(4-methylphenyl)sulfonylphosphanyl]oxybenzaldehyde
CID 58610879
2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 693298
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
[2-(dinaphthalen-1-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-1-yl phosphite;[2-(dinaphthalen-2-yloxyphosphanyloxymethyl)phenyl] dinaphthalen-2-yl phosphite
CID 159631780
[2-[(2-formylphenoxy)-[2-(2-propylbenzoyl)phenoxy]phosphanyl]oxyphenyl] cyanate
CID 142850419
[8-bis(2-formylphenoxy)phosphanyloxy-9,10-dioxoanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite
CID 58931597
bis(2-formylphenoxy)-oxophosphanium
CID 87515933
[2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite
CID 89185095
[8-bis(2-formylphenoxy)phosphanyloxy-9-hydroxyanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite
CID 91203679
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-formylphenoxy)phosphanyloxymethyl]phenyl] bis(2-formylphenyl) phosphite?
The IUPAC name of [2-[bis(2-formylphenoxy)phosphanyloxymethyl]phenyl] bis(2-formylphenyl) phosphite (CID 58611063) is [2-[bis(2-formylphenoxy)phosphanyloxymethyl]phenyl] bis(2-formylphenyl) phosphite.
What is the SMILES notation for [2-[bis(2-formylphenoxy)phosphanyloxymethyl]phenyl] bis(2-formylphenyl) phosphite?
The canonical SMILES for [2-[bis(2-formylphenoxy)phosphanyloxymethyl]phenyl] bis(2-formylphenyl) phosphite is O=Cc1ccccc1OP(OCc1ccccc1OP(Oc1ccccc1C=O)Oc1ccccc1C=O)Oc1ccccc1C=O.
What is the InChIKey of [2-[bis(2-formylphenoxy)phosphanyloxymethyl]phenyl] bis(2-formylphenyl) phosphite?
The InChIKey is VRQJHRVXMILPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26O10P2/c36-21-26-11-1-6-16-31(26)41-46(42-32-17-7-2-12-27(32)22-37)40-25-30-15-5-10-20-35(30)45-47(43-33-18-8-3-13-28(33)23-38)44-34-19-9-4-14-29(34)24-39/h1-24H,25H2.
What are the key properties of [2-[bis(2-formylphenoxy)phosphanyloxymethyl]phenyl] bis(2-formylphenyl) phosphite?
[2-[bis(2-formylphenoxy)phosphanyloxymethyl]phenyl] bis(2-formylphenyl) phosphite has a molecular weight of 668.53 g/mol, XLogP of 8.60, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-formylphenoxy)phosphanyloxymethyl]phenyl] bis(2-formylphenyl) phosphite is sourced from PubChem (CID 58611063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).