diphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane

C32H24O4P2 — CID 134839910

IUPACdiphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane
SMILESc1ccc(Pc2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)cc1
InChIInChI=1S/C32H24O4P2/c1-4-10-22(11-5-1)37-27-18-16-25-31(35-20-33-25)29(27)30-28(19-17-26-32(30)36-21-34-26)38(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,37H,20-21H2
InChIKeyBSAODTZNLFSYJY-UHFFFAOYSA-N
MW534.49 g/mol
LogP5.20
Rot. Bonds6

About diphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane

diphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane (PubChem CID 134839910) has the molecular formula C32H24O4P2 and a molecular weight of 534.49 g/mol. Its IUPAC name is diphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane
PubChem CID134839910
Molecular FormulaC32H24O4P2
Molecular Weight534.49 g/mol
Exact Mass534.11
IUPAC Namediphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane
SMILESc1ccc(Pc2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)cc1
InChIInChI=1S/C32H24O4P2/c1-4-10-22(11-5-1)37-27-18-16-25-31(35-20-33-25)29(27)30-28(19-17-26-32(30)36-21-34-26)38(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,37H,20-21H2
InChIKeyBSAODTZNLFSYJY-UHFFFAOYSA-N
XLogP5.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.49
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium
CID 71310596
bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(N-methylmethanamine);ruthenium;bis(ruthenium(2+));dichloride;octahydrochloride
CID 175687646
CID 16744161
CID 16744161
chlororuthenium(1+);[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene;chloride
CID 71310236
[4-[(2R)-2-methyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-diphenylphosphane
CID 144514545
(1-diphenylphosphanylbenzo[d][1,3]benzodioxepin-11-yl)-diphenylphosphane;[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;[2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 157489097
(7-diphenylphosphanyl-12,19,21,22-tetraoxapentacyclo[16.2.1.110,13.05,20.06,11]docosa-1(20),2,4,6,8,10-hexaen-4-yl)-diphenylphosphane
CID 126512887
(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-diphenylphosphane
CID 18324341
(12-diphenylphosphanyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl)-diphenylphosphane
CID 635885
4-cyano-3-nitrobenzoic acid;[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;iridium;prop-1-ene
CID 171991215
diphenyl-[2-[(2-phenylphosphanylphenyl)methyl]phenyl]phosphane
CID 137491605
bis([4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane);N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride
CID 121233602

Frequently Asked Questions

What is the IUPAC name of diphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane?
The IUPAC name of diphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane (CID 134839910) is diphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane.
What is the SMILES notation for diphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane?
The canonical SMILES for diphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane is c1ccc(Pc2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)cc1.
What is the InChIKey of diphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane?
The InChIKey is BSAODTZNLFSYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24O4P2/c1-4-10-22(11-5-1)37-27-18-16-25-31(35-20-33-25)29(27)30-28(19-17-26-32(30)36-21-34-26)38(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,37H,20-21H2.
What are the key properties of diphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane?
diphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane has a molecular weight of 534.49 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[4-(5-phenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane is sourced from PubChem (CID 134839910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).