(5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane

C39H32OP2Se2 — CID 66559430

IUPAC(5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane
SMILESCC1(C)c2cccc(P(=[Se])(c3ccccc3)c3ccccc3)c2Oc2c1cccc2P(=[Se])(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H32OP2Se2/c1-39(2)33-25-15-27-35(41(43,29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(44,31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3
InChIKeyOEXRZFVYZKRQNN-UHFFFAOYSA-N
MW736.55 g/mol
LogP6.87
Rot. Bonds6

About (5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane

(5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane (PubChem CID 66559430) has the molecular formula C39H32OP2Se2 and a molecular weight of 736.55 g/mol. Its IUPAC name is (5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane.

Molecular Properties

Compound Name(5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane
PubChem CID66559430
Molecular FormulaC39H32OP2Se2
Molecular Weight736.55 g/mol
Exact Mass738.03
IUPAC Name(5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane
SMILESCC1(C)c2cccc(P(=[Se])(c3ccccc3)c3ccccc3)c2Oc2c1cccc2P(=[Se])(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H32OP2Se2/c1-39(2)33-25-15-27-35(41(43,29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(44,31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3
InChIKeyOEXRZFVYZKRQNN-UHFFFAOYSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.55
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-bis(diphenylphosphoryl)-9,9-dimethylxanthene;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;hydrogen peroxide
CID 161019366
4,5-diiodo-9,9-dimethylxanthene
CID 10813897
2,7-ditert-butyl-9,9-dimethyl-4-[methyl(phenyl)phosphoryl]-5-[methyl(phenyl)phosphoryl]xanthene
CID 11828114
(5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium
CID 155935452
[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane
CID 168812261
5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene
CID 118081432
(2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 154724363
5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine
CID 11691431
bis(di(indol-1-yl)phosphane);4,5,9,9-tetramethylxanthene
CID 142265908
[5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane
CID 126694706
[5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane
CID 20727371
(9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane
CID 145025633

Frequently Asked Questions

What is the IUPAC name of (5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane?
The IUPAC name of (5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane (CID 66559430) is (5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane.
What is the SMILES notation for (5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane?
The canonical SMILES for (5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane is CC1(C)c2cccc(P(=[Se])(c3ccccc3)c3ccccc3)c2Oc2c1cccc2P(=[Se])(c1ccccc1)c1ccccc1.
What is the InChIKey of (5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane?
The InChIKey is OEXRZFVYZKRQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32OP2Se2/c1-39(2)33-25-15-27-35(41(43,29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(44,31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3.
What are the key properties of (5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane?
(5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane has a molecular weight of 736.55 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane is sourced from PubChem (CID 66559430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).