bis(1-benzofuran-2-yl)-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phosphane

C28H19O3P — CID 178079493

IUPACbis(1-benzofuran-2-yl)-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phosphane
SMILESC=Cc1oc2c(P(c3cc4ccccc4o3)c3cc4ccccc4o3)cccc2c1C=C
InChIInChI=1S/C28H19O3P/c1-3-20-21-12-9-15-25(28(21)31-22(20)4-2)32(26-16-18-10-5-7-13-23(18)29-26)27-17-19-11-6-8-14-24(19)30-27/h3-17H,1-2H2
InChIKeyHXCKDEMONSQAAS-UHFFFAOYSA-N
MW434.43 g/mol
LogP6.97
Rot. Bonds5

About bis(1-benzofuran-2-yl)-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phosphane

bis(1-benzofuran-2-yl)-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phosphane (PubChem CID 178079493) has the molecular formula C28H19O3P and a molecular weight of 434.43 g/mol. Its IUPAC name is bis(1-benzofuran-2-yl)-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phosphane.

Molecular Properties

Compound Namebis(1-benzofuran-2-yl)-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phosphane
PubChem CID178079493
Molecular FormulaC28H19O3P
Molecular Weight434.43 g/mol
Exact Mass434.11
IUPAC Namebis(1-benzofuran-2-yl)-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phosphane
SMILESC=Cc1oc2c(P(c3cc4ccccc4o3)c3cc4ccccc4o3)cccc2c1C=C
InChIInChI=1S/C28H19O3P/c1-3-20-21-12-9-15-25(28(21)31-22(20)4-2)32(26-16-18-10-5-7-13-23(18)29-26)27-17-19-11-6-8-14-24(19)30-27/h3-17H,1-2H2
InChIKeyHXCKDEMONSQAAS-UHFFFAOYSA-N
XLogP6.97
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.43
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1-benzofuran-2-yl)-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phosphane?
The IUPAC name of bis(1-benzofuran-2-yl)-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phosphane (CID 178079493) is bis(1-benzofuran-2-yl)-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phosphane.
What is the SMILES notation for bis(1-benzofuran-2-yl)-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phosphane?
The canonical SMILES for bis(1-benzofuran-2-yl)-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phosphane is C=Cc1oc2c(P(c3cc4ccccc4o3)c3cc4ccccc4o3)cccc2c1C=C.
What is the InChIKey of bis(1-benzofuran-2-yl)-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phosphane?
The InChIKey is HXCKDEMONSQAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19O3P/c1-3-20-21-12-9-15-25(28(21)31-22(20)4-2)32(26-16-18-10-5-7-13-23(18)29-26)27-17-19-11-6-8-14-24(19)30-27/h3-17H,1-2H2.
What are the key properties of bis(1-benzofuran-2-yl)-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phosphane?
bis(1-benzofuran-2-yl)-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phosphane has a molecular weight of 434.43 g/mol, XLogP of 6.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-benzofuran-2-yl)-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phosphane is sourced from PubChem (CID 178079493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).