(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane

C39H32OP2 — CID 636044

IUPAC(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane
SMILESCC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C39H32OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3
InChIKeyCXNIUSPIQKWYAI-UHFFFAOYSA-N
MW578.63 g/mol
LogP7.63
Rot. Bonds6

About (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane

(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane (PubChem CID 636044) has the molecular formula C39H32OP2 and a molecular weight of 578.63 g/mol. Its IUPAC name is (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane.

Molecular Properties

Compound Name(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane
PubChem CID636044
Molecular FormulaC39H32OP2
Molecular Weight578.63 g/mol
Exact Mass578.19
IUPAC Name(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane
SMILESCC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C39H32OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3
InChIKeyCXNIUSPIQKWYAI-UHFFFAOYSA-N
XLogP7.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.63
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

((3-(sec-Butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene
CID 129318102
9,9-Dimethylxanthene
CID 606997
R-(-)-1,13-Bis(diphenylphosphino)-7,8-dihydro-6H-dibenzo(f,h)(1,5)dioxonin
CID 10722198
Tris(4-methylphenyl)-[(4-phenoxyphenyl)methyl]phosphanium bromide
CID 57341472
Tris(3-methylphenyl)-[(4-phenoxyphenyl)methyl]phosphanium bromide
CID 57341476
[4-[4-[[Diphenyl(propyl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propylphosphanium dibromide
CID 57342168
[4-[4-[[Diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide
CID 57342172
(4-Methylphenyl)-[[4-[4-[[(4-methylphenyl)-diphenylphosphaniumyl]methyl]phenoxy]phenyl]methyl]-diphenylphosphanium dibromide
CID 57342340
Tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide
CID 57343190
Tris(3-methylphenyl)-[[4-[4-[tris(3-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide
CID 57343522
triphenyl-[10-[4-[(E)-2-phenylethenyl]phenoxy]decyl]phosphanium iodide
CID 145980121
triphenyl-[8-[4-[(E)-2-phenylethenyl]phenoxy]octyl]phosphanium iodide
CID 145980384

Frequently Asked Questions

What is the IUPAC name of (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane?
The IUPAC name of (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane (CID 636044) is (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane.
What is the SMILES notation for (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane?
The canonical SMILES for (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane is CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.
What is the InChIKey of (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane?
The InChIKey is CXNIUSPIQKWYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3.
What are the key properties of (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane?
(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane has a molecular weight of 578.63 g/mol, XLogP of 7.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane is sourced from PubChem (CID 636044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).