4,5-bis(diphenylphosphoryl)-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran

C34H28O4P2 — CID 102312802

IUPAC4,5-bis(diphenylphosphoryl)-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran
SMILESO=P(c1ccccc1)(c1ccccc1)c1c2c(c3c(c1P(=O)(c1ccccc1)c1ccccc1)COC3)COC2
InChIInChI=1S/C34H28O4P2/c35-39(25-13-5-1-6-14-25,26-15-7-2-8-16-26)33-31-23-37-21-29(31)30-22-38-24-32(30)34(33)40(36,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyIXJYZLUAMOWORE-UHFFFAOYSA-N
MW562.54 g/mol
LogP5.03
Rot. Bonds6

About 4,5-bis(diphenylphosphoryl)-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran

4,5-bis(diphenylphosphoryl)-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran (PubChem CID 102312802) has the molecular formula C34H28O4P2 and a molecular weight of 562.54 g/mol. Its IUPAC name is 4,5-bis(diphenylphosphoryl)-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran.

Molecular Properties

Compound Name4,5-bis(diphenylphosphoryl)-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran
PubChem CID102312802
Molecular FormulaC34H28O4P2
Molecular Weight562.54 g/mol
Exact Mass562.15
IUPAC Name4,5-bis(diphenylphosphoryl)-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran
SMILESO=P(c1ccccc1)(c1ccccc1)c1c2c(c3c(c1P(=O)(c1ccccc1)c1ccccc1)COC3)COC2
InChIInChI=1S/C34H28O4P2/c35-39(25-13-5-1-6-14-25,26-15-7-2-8-16-26)33-31-23-37-21-29(31)30-22-38-24-32(30)34(33)40(36,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyIXJYZLUAMOWORE-UHFFFAOYSA-N
XLogP5.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.54
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,5-bis(diphenylphosphoryl)-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran with MolForge

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Related Compounds

diphenylphosphorylbenzene;terbium
CID 86595283
diphenylphosphorylbenzene;oxirene
CID 174881764
4-diphenylphosphoryl-5-methyl-1,2-dihydropyrazol-3-one
CID 102307113
2-(4-diphenylphosphorylphenyl)-1,3-dioxolane
CID 169083681
diiodocobalt;bis(diphenylphosphorylbenzene)
CID 154702808
dichlorochromium;bis(diphenylphosphorylbenzene)
CID 23290734
9-bromo-10-diphenylphosphorylanthracene
CID 142735976
3-diphenylphosphoryl-1,2,4,5-tetrafluorobenzene
CID 172559214
[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride
CID 174876703
dimethyl (6R,7R)-4,9-bis(diphenylphosphoryl)-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-6,7-dicarboxylate
CID 101411801
5,7-bis(diphenylphosphoryl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 122225176
2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(diphenylphosphoryl)-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran?
The IUPAC name of 4,5-bis(diphenylphosphoryl)-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran (CID 102312802) is 4,5-bis(diphenylphosphoryl)-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran.
What is the SMILES notation for 4,5-bis(diphenylphosphoryl)-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran?
The canonical SMILES for 4,5-bis(diphenylphosphoryl)-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran is O=P(c1ccccc1)(c1ccccc1)c1c2c(c3c(c1P(=O)(c1ccccc1)c1ccccc1)COC3)COC2.
What is the InChIKey of 4,5-bis(diphenylphosphoryl)-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran?
The InChIKey is IXJYZLUAMOWORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28O4P2/c35-39(25-13-5-1-6-14-25,26-15-7-2-8-16-26)33-31-23-37-21-29(31)30-22-38-24-32(30)34(33)40(36,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2.
What are the key properties of 4,5-bis(diphenylphosphoryl)-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran?
4,5-bis(diphenylphosphoryl)-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran has a molecular weight of 562.54 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(diphenylphosphoryl)-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran is sourced from PubChem (CID 102312802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).