bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite

C33H35O3P — CID 66971419

IUPACbis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite
SMILESC=CCc1ccccc1OP(Oc1cccc(CC=C)c1CC=C)Oc1cccc(CC=C)c1CC=C
InChIInChI=1S/C33H35O3P/c1-6-15-26-21-13-24-32(29(26)18-9-4)35-37(34-31-23-12-11-20-28(31)17-8-3)36-33-25-14-22-27(16-7-2)30(33)19-10-5/h6-14,20-25H,1-5,15-19H2
InChIKeyFZMMSQZJHWESTB-UHFFFAOYSA-N
MW510.61 g/mol
LogP9.09
Rot. Bonds16

About bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite

bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite (PubChem CID 66971419) has the molecular formula C33H35O3P and a molecular weight of 510.61 g/mol. Its IUPAC name is bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite.

Molecular Properties

Compound Namebis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite
PubChem CID66971419
Molecular FormulaC33H35O3P
Molecular Weight510.61 g/mol
Exact Mass510.23
IUPAC Namebis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite
SMILESC=CCc1ccccc1OP(Oc1cccc(CC=C)c1CC=C)Oc1cccc(CC=C)c1CC=C
InChIInChI=1S/C33H35O3P/c1-6-15-26-21-13-24-32(29(26)18-9-4)35-37(34-31-23-12-11-20-28(31)17-8-3)36-33-25-14-22-27(16-7-2)30(33)19-10-5/h6-14,20-25H,1-5,15-19H2
InChIKeyFZMMSQZJHWESTB-UHFFFAOYSA-N
XLogP9.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.61
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene
CID 70536886
2-(2-prop-2-enylphenoxy)propanenitrile
CID 13355012
CID 15477926
CID 15477926
CID 13455471
CID 13455471
(2-prop-2-enylphenyl) 2-oxoacetate
CID 87234163
azane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene
CID 130386839
ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
CID 154957356
molecular nitrogen;1-phenoxy-2-prop-2-enylbenzene
CID 70452460
1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
CID 87155986
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
bis(2-prop-2-enylphenyl) hydrogen phosphate
CID 68656699

Frequently Asked Questions

What is the IUPAC name of bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite?
The IUPAC name of bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite (CID 66971419) is bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite.
What is the SMILES notation for bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite?
The canonical SMILES for bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite is C=CCc1ccccc1OP(Oc1cccc(CC=C)c1CC=C)Oc1cccc(CC=C)c1CC=C.
What is the InChIKey of bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite?
The InChIKey is FZMMSQZJHWESTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35O3P/c1-6-15-26-21-13-24-32(29(26)18-9-4)35-37(34-31-23-12-11-20-28(31)17-8-3)36-33-25-14-22-27(16-7-2)30(33)19-10-5/h6-14,20-25H,1-5,15-19H2.
What are the key properties of bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite?
bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite has a molecular weight of 510.61 g/mol, XLogP of 9.09, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite is sourced from PubChem (CID 66971419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).