[1-[[[[(3,5-dihydroxyphenoxy)-ethyl-phenoxy-λ5-phosphanylidene]amino]-diphenoxy-λ5-phosphanylidene]amino]-2-phenoxyethyl]-imino-phenoxyphosphanium

C40H39N3O8P3+ — CID 118492292

IUPAC[1-[[[[(3,5-dihydroxyphenoxy)-ethyl-phenoxy-λ5-phosphanylidene]amino]-diphenoxy-λ5-phosphanylidene]amino]-2-phenoxyethyl]-imino-phenoxyphosphanium
SMILES[H]/N=[P+](\Oc1ccccc1)C(COc1ccccc1)N=P(N=P(CC)(Oc1ccccc1)Oc1cc(O)cc(O)c1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C40H38N3O8P3/c1-2-53(48-36-22-12-5-13-23-36,49-39-29-32(44)28-33(45)30-39)43-54(50-37-24-14-6-15-25-37,51-38-26-16-7-17-27-38)42-40(31-46-34-18-8-3-9-19-34)52(41)47-35-20-10-4-11-21-35/h3-30,40-41H,2,31H2,1H3,(H-,44,45)/p+1
InChIKeyFMKYRXKLAPBAEP-UHFFFAOYSA-O
MW782.69 g/mol
LogP12.35
Rot. Bonds17

About [1-[[[[(3,5-dihydroxyphenoxy)-ethyl-phenoxy-λ5-phosphanylidene]amino]-diphenoxy-λ5-phosphanylidene]amino]-2-phenoxyethyl]-imino-phenoxyphosphanium

[1-[[[[(3,5-dihydroxyphenoxy)-ethyl-phenoxy-λ5-phosphanylidene]amino]-diphenoxy-λ5-phosphanylidene]amino]-2-phenoxyethyl]-imino-phenoxyphosphanium (PubChem CID 118492292) has the molecular formula C40H39N3O8P3+ and a molecular weight of 782.69 g/mol. Its IUPAC name is [1-[[[[(3,5-dihydroxyphenoxy)-ethyl-phenoxy-λ5-phosphanylidene]amino]-diphenoxy-λ5-phosphanylidene]amino]-2-phenoxyethyl]-imino-phenoxyphosphanium.

Molecular Properties

Compound Name[1-[[[[(3,5-dihydroxyphenoxy)-ethyl-phenoxy-λ5-phosphanylidene]amino]-diphenoxy-λ5-phosphanylidene]amino]-2-phenoxyethyl]-imino-phenoxyphosphanium
PubChem CID118492292
Molecular FormulaC40H39N3O8P3+
Molecular Weight782.69 g/mol
Exact Mass782.19
IUPAC Name[1-[[[[(3,5-dihydroxyphenoxy)-ethyl-phenoxy-λ5-phosphanylidene]amino]-diphenoxy-λ5-phosphanylidene]amino]-2-phenoxyethyl]-imino-phenoxyphosphanium
SMILES[H]/N=[P+](\Oc1ccccc1)C(COc1ccccc1)N=P(N=P(CC)(Oc1ccccc1)Oc1cc(O)cc(O)c1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C40H38N3O8P3/c1-2-53(48-36-22-12-5-13-23-36,49-39-29-32(44)28-33(45)30-39)43-54(50-37-24-14-6-15-25-37,51-38-26-16-7-17-27-38)42-40(31-46-34-18-8-3-9-19-34)52(41)47-35-20-10-4-11-21-35/h3-30,40-41H,2,31H2,1H3,(H-,44,45)/p+1
InChIKeyFMKYRXKLAPBAEP-UHFFFAOYSA-O
XLogP12.35
TPSA144.41 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.69
LogP ≤ 512.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[[[[(3,5-dihydroxyphenoxy)-ethyl-phenoxy-λ5-phosphanylidene]amino]-diphenoxy-λ5-phosphanylidene]amino]-2-phenoxyethyl]-imino-phenoxyphosphanium?
The IUPAC name of [1-[[[[(3,5-dihydroxyphenoxy)-ethyl-phenoxy-λ5-phosphanylidene]amino]-diphenoxy-λ5-phosphanylidene]amino]-2-phenoxyethyl]-imino-phenoxyphosphanium (CID 118492292) is [1-[[[[(3,5-dihydroxyphenoxy)-ethyl-phenoxy-λ5-phosphanylidene]amino]-diphenoxy-λ5-phosphanylidene]amino]-2-phenoxyethyl]-imino-phenoxyphosphanium.
What is the SMILES notation for [1-[[[[(3,5-dihydroxyphenoxy)-ethyl-phenoxy-λ5-phosphanylidene]amino]-diphenoxy-λ5-phosphanylidene]amino]-2-phenoxyethyl]-imino-phenoxyphosphanium?
The canonical SMILES for [1-[[[[(3,5-dihydroxyphenoxy)-ethyl-phenoxy-λ5-phosphanylidene]amino]-diphenoxy-λ5-phosphanylidene]amino]-2-phenoxyethyl]-imino-phenoxyphosphanium is [H]/N=[P+](\Oc1ccccc1)C(COc1ccccc1)N=P(N=P(CC)(Oc1ccccc1)Oc1cc(O)cc(O)c1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of [1-[[[[(3,5-dihydroxyphenoxy)-ethyl-phenoxy-λ5-phosphanylidene]amino]-diphenoxy-λ5-phosphanylidene]amino]-2-phenoxyethyl]-imino-phenoxyphosphanium?
The InChIKey is FMKYRXKLAPBAEP-UHFFFAOYSA-O. The full InChI is InChI=1S/C40H38N3O8P3/c1-2-53(48-36-22-12-5-13-23-36,49-39-29-32(44)28-33(45)30-39)43-54(50-37-24-14-6-15-25-37,51-38-26-16-7-17-27-38)42-40(31-46-34-18-8-3-9-19-34)52(41)47-35-20-10-4-11-21-35/h3-30,40-41H,2,31H2,1H3,(H-,44,45)/p+1.
What are the key properties of [1-[[[[(3,5-dihydroxyphenoxy)-ethyl-phenoxy-λ5-phosphanylidene]amino]-diphenoxy-λ5-phosphanylidene]amino]-2-phenoxyethyl]-imino-phenoxyphosphanium?
[1-[[[[(3,5-dihydroxyphenoxy)-ethyl-phenoxy-λ5-phosphanylidene]amino]-diphenoxy-λ5-phosphanylidene]amino]-2-phenoxyethyl]-imino-phenoxyphosphanium has a molecular weight of 782.69 g/mol, XLogP of 12.35, 17 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[[(3,5-dihydroxyphenoxy)-ethyl-phenoxy-λ5-phosphanylidene]amino]-diphenoxy-λ5-phosphanylidene]amino]-2-phenoxyethyl]-imino-phenoxyphosphanium is sourced from PubChem (CID 118492292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).