[5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane

C41H36O2P2 — CID 126694706

IUPAC[5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane
SMILESCOCc1cc(P(c2ccccc2)c2ccccc2)c2c(c1)C(C)(C)c1cccc(P(c3ccccc3)c3ccccc3)c1O2
InChIInChI=1S/C41H36O2P2/c1-41(2)35-25-16-26-37(44(31-17-8-4-9-18-31)32-19-10-5-11-20-32)39(35)43-40-36(41)27-30(29-42-3)28-38(40)45(33-21-12-6-13-22-33)34-23-14-7-15-24-34/h4-28H,29H2,1-3H3
InChIKeyLIPFSECZXBJAQF-UHFFFAOYSA-N
MW622.69 g/mol
LogP7.78
Rot. Bonds8

About [5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane

[5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane (PubChem CID 126694706) has the molecular formula C41H36O2P2 and a molecular weight of 622.69 g/mol. Its IUPAC name is [5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane.

Molecular Properties

Compound Name[5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane
PubChem CID126694706
Molecular FormulaC41H36O2P2
Molecular Weight622.69 g/mol
Exact Mass622.22
IUPAC Name[5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane
SMILESCOCc1cc(P(c2ccccc2)c2ccccc2)c2c(c1)C(C)(C)c1cccc(P(c3ccccc3)c3ccccc3)c1O2
InChIInChI=1S/C41H36O2P2/c1-41(2)35-25-16-26-37(44(31-17-8-4-9-18-31)32-19-10-5-11-20-32)39(35)43-40-36(41)27-30(29-42-3)28-38(40)45(33-21-12-6-13-22-33)34-23-14-7-15-24-34/h4-28H,29H2,1-3H3
InChIKeyLIPFSECZXBJAQF-UHFFFAOYSA-N
XLogP7.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.69
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 138732432
(2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 154724363
[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane
CID 168812261
(9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane
CID 145025633
(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;9H-xanthene
CID 88764905
4,5-bis(diphenylphosphoryl)-9,9-dimethylxanthene;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;hydrogen peroxide
CID 161019366
[2-(5-bromopentyl)-5-diphenylphosphanyl-9,9-dimethyl-7-pentylxanthen-4-yl]-diphenylphosphane
CID 87930200
[5-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-9,9-dimethylxanthen-4-yl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
CID 6421024
[5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane
CID 166647614
benzene;4,5-dihydro-1,3-oxazol-2-olate;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;palladium(2+)
CID 11564136
N-benzyl-4-chloroquinolin-2-amine;2,4-dichloroquinoline;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;phenylmethanamine
CID 159205621
(4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane
CID 143050701

Frequently Asked Questions

What is the IUPAC name of [5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane?
The IUPAC name of [5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane (CID 126694706) is [5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane.
What is the SMILES notation for [5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane?
The canonical SMILES for [5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane is COCc1cc(P(c2ccccc2)c2ccccc2)c2c(c1)C(C)(C)c1cccc(P(c3ccccc3)c3ccccc3)c1O2.
What is the InChIKey of [5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane?
The InChIKey is LIPFSECZXBJAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36O2P2/c1-41(2)35-25-16-26-37(44(31-17-8-4-9-18-31)32-19-10-5-11-20-32)39(35)43-40-36(41)27-30(29-42-3)28-38(40)45(33-21-12-6-13-22-33)34-23-14-7-15-24-34/h4-28H,29H2,1-3H3.
What are the key properties of [5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane?
[5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane has a molecular weight of 622.69 g/mol, XLogP of 7.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane is sourced from PubChem (CID 126694706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).