6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide

C50H40O6P2 — CID 126498108

IUPAC6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESC=Cc1ccc(COC(c2ccc(C(OCc3ccc(C=C)cc3)P3(=O)Oc4ccccc4-c4ccccc43)cc2)P2(=O)Oc3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C50H40O6P2/c1-3-35-21-25-37(26-22-35)33-53-49(57(51)47-19-11-7-15-43(47)41-13-5-9-17-45(41)55-57)39-29-31-40(32-30-39)50(54-34-38-27-23-36(4-2)24-28-38)58(52)48-20-12-8-16-44(48)42-14-6-10-18-46(42)56-58/h3-32,49-50H,1-2,33-34H2
InChIKeyDUKFFHKQJRNBLZ-UHFFFAOYSA-N
MW798.81 g/mol
LogP12.73
Rot. Bonds12

About 6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide

6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 126498108) has the molecular formula C50H40O6P2 and a molecular weight of 798.81 g/mol. Its IUPAC name is 6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID126498108
Molecular FormulaC50H40O6P2
Molecular Weight798.81 g/mol
Exact Mass798.23
IUPAC Name6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESC=Cc1ccc(COC(c2ccc(C(OCc3ccc(C=C)cc3)P3(=O)Oc4ccccc4-c4ccccc43)cc2)P2(=O)Oc3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C50H40O6P2/c1-3-35-21-25-37(26-22-35)33-53-49(57(51)47-19-11-7-15-43(47)41-13-5-9-17-45(41)55-57)39-29-31-40(32-30-39)50(54-34-38-27-23-36(4-2)24-28-38)58(52)48-20-12-8-16-44(48)42-14-6-10-18-46(42)56-58/h3-32,49-50H,1-2,33-34H2
InChIKeyDUKFFHKQJRNBLZ-UHFFFAOYSA-N
XLogP12.73
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.81
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide with MolForge

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Related Compounds

2-[(4-ethenylphenyl)methoxy]propan-1-ol
CID 21035602
6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 88764425
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
bis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium
CID 162713080
(4-ethenylphenyl)methyl 2-phenylacetate
CID 164760837
4-[bis(phenylmethoxy)methyl]benzaldehyde
CID 54422939
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
(4-ethenylphenyl)methoxymethylsilane
CID 159198884
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368
(4-ethenylphenyl)methyl 5-phenylpentanoate
CID 102362530
6-(3,5-dimethylhexa-1,2-dienyl)benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 139231830

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide (CID 126498108) is 6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide is C=Cc1ccc(COC(c2ccc(C(OCc3ccc(C=C)cc3)P3(=O)Oc4ccccc4-c4ccccc43)cc2)P2(=O)Oc3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is DUKFFHKQJRNBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40O6P2/c1-3-35-21-25-37(26-22-35)33-53-49(57(51)47-19-11-7-15-43(47)41-13-5-9-17-45(41)55-57)39-29-31-40(32-30-39)50(54-34-38-27-23-36(4-2)24-28-38)58(52)48-20-12-8-16-44(48)42-14-6-10-18-46(42)56-58/h3-32,49-50H,1-2,33-34H2.
What are the key properties of 6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?
6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 798.81 g/mol, XLogP of 12.73, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 126498108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).