[3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol

C36H26O6P2 — CID 126498091

IUPAC[3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol
SMILESO=P1(C(O)c2cc3ccccc3cc2C(O)P2(=O)Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C36H26O6P2/c37-35(43(39)33-19-9-5-15-27(33)25-13-3-7-17-31(25)41-43)29-21-23-11-1-2-12-24(23)22-30(29)36(38)44(40)34-20-10-6-16-28(34)26-14-4-8-18-32(26)42-44/h1-22,35-38H
InChIKeyVXNZVKOWJGIAJI-UHFFFAOYSA-N
MW616.55 g/mol
LogP8.15
Rot. Bonds4

About [3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol

[3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol (PubChem CID 126498091) has the molecular formula C36H26O6P2 and a molecular weight of 616.55 g/mol. Its IUPAC name is [3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol.

Molecular Properties

Compound Name[3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol
PubChem CID126498091
Molecular FormulaC36H26O6P2
Molecular Weight616.55 g/mol
Exact Mass616.12
IUPAC Name[3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol
SMILESO=P1(C(O)c2cc3ccccc3cc2C(O)P2(=O)Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C36H26O6P2/c37-35(43(39)33-19-9-5-15-27(33)25-13-3-7-17-31(25)41-43)29-21-23-11-1-2-12-24(23)22-30(29)36(38)44(40)34-20-10-6-16-28(34)26-14-4-8-18-32(26)42-44/h1-22,35-38H
InChIKeyVXNZVKOWJGIAJI-UHFFFAOYSA-N
XLogP8.15
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.55
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol with MolForge

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Related Compounds

furan-2-yl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol
CID 14686894
(3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol
CID 14686914
2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol
CID 14686892
2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol
CID 20662902
ethane;2-[1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]phenol
CID 159602454
6-butan-2-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 71018079
6-hexan-3-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 130416777
N-butyl-N-[2-methyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propyl]hydroxylamine
CID 146515346
6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 155351564
4-[[4-hydroxy-3-[(4-hydroxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]-2-[(4-hydroxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol
CID 149359269
6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 122684857
3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol
CID 20662894

Frequently Asked Questions

What is the IUPAC name of [3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol?
The IUPAC name of [3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol (CID 126498091) is [3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol.
What is the SMILES notation for [3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol?
The canonical SMILES for [3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol is O=P1(C(O)c2cc3ccccc3cc2C(O)P2(=O)Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21.
What is the InChIKey of [3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol?
The InChIKey is VXNZVKOWJGIAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26O6P2/c37-35(43(39)33-19-9-5-15-27(33)25-13-3-7-17-31(25)41-43)29-21-23-11-1-2-12-24(23)22-30(29)36(38)44(40)34-20-10-6-16-28(34)26-14-4-8-18-32(26)42-44/h1-22,35-38H.
What are the key properties of [3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol?
[3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol has a molecular weight of 616.55 g/mol, XLogP of 8.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol is sourced from PubChem (CID 126498091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).