bis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane

C37H38O4P2 — CID 123450543

IUPACbis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane
SMILESCC1OCCc2cccc(P(CCCP(c3cccc4c3OCC4)c3cccc4c3OCC4)c3cccc4c3OCC4)c21
InChIInChI=1S/C37H38O4P2/c1-25-34-26(15-19-38-25)7-2-11-30(34)42(31-12-3-8-27-16-20-39-35(27)31)23-6-24-43(32-13-4-9-28-17-21-40-36(28)32)33-14-5-10-29-18-22-41-37(29)33/h2-5,7-14,25H,6,15-24H2,1H3
InChIKeyBNNUQQVGCMNDHF-UHFFFAOYSA-N
MW608.66 g/mol
LogP6.08
Rot. Bonds8

About bis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane

bis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane (PubChem CID 123450543) has the molecular formula C37H38O4P2 and a molecular weight of 608.66 g/mol. Its IUPAC name is bis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane.

Molecular Properties

Compound Namebis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane
PubChem CID123450543
Molecular FormulaC37H38O4P2
Molecular Weight608.66 g/mol
Exact Mass608.22
IUPAC Namebis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane
SMILESCC1OCCc2cccc(P(CCCP(c3cccc4c3OCC4)c3cccc4c3OCC4)c3cccc4c3OCC4)c21
InChIInChI=1S/C37H38O4P2/c1-25-34-26(15-19-38-25)7-2-11-30(34)42(31-12-3-8-27-16-20-39-35(27)31)23-6-24-43(32-13-4-9-28-17-21-40-36(28)32)33-14-5-10-29-18-22-41-37(29)33/h2-5,7-14,25H,6,15-24H2,1H3
InChIKeyBNNUQQVGCMNDHF-UHFFFAOYSA-N
XLogP6.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.66
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane?
The IUPAC name of bis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane (CID 123450543) is bis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane.
What is the SMILES notation for bis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane?
The canonical SMILES for bis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane is CC1OCCc2cccc(P(CCCP(c3cccc4c3OCC4)c3cccc4c3OCC4)c3cccc4c3OCC4)c21.
What is the InChIKey of bis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane?
The InChIKey is BNNUQQVGCMNDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38O4P2/c1-25-34-26(15-19-38-25)7-2-11-30(34)42(31-12-3-8-27-16-20-39-35(27)31)23-6-24-43(32-13-4-9-28-17-21-40-36(28)32)33-14-5-10-29-18-22-41-37(29)33/h2-5,7-14,25H,6,15-24H2,1H3.
What are the key properties of bis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane?
bis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane has a molecular weight of 608.66 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane is sourced from PubChem (CID 123450543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).