(2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane

C41H36O3P2 — CID 154724363

IUPAC(2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
SMILESCOc1ccccc1[P@@](c1ccccc1)c1cccc2c1Oc1c([P@@](c3ccccc3)c3ccccc3OC)cccc1C2(C)C
InChIInChI=1S/C41H36O3P2/c1-41(2)31-21-15-27-37(45(29-17-7-5-8-18-29)35-25-13-11-23-33(35)42-3)39(31)44-40-32(41)22-16-28-38(40)46(30-19-9-6-10-20-30)36-26-14-12-24-34(36)43-4/h5-28H,1-4H3/t45-,46+
InChIKeyUAVRIRWLEFEGBK-QWKHHPMFSA-N
MW638.68 g/mol
LogP7.65
Rot. Bonds8

About (2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane

(2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane (PubChem CID 154724363) has the molecular formula C41H36O3P2 and a molecular weight of 638.68 g/mol. Its IUPAC name is (2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane.

Molecular Properties

Compound Name(2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
PubChem CID154724363
Molecular FormulaC41H36O3P2
Molecular Weight638.68 g/mol
Exact Mass638.21
IUPAC Name(2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
SMILESCOc1ccccc1[P@@](c1ccccc1)c1cccc2c1Oc1c([P@@](c3ccccc3)c3ccccc3OC)cccc1C2(C)C
InChIInChI=1S/C41H36O3P2/c1-41(2)31-21-15-27-37(45(29-17-7-5-8-18-29)35-25-13-11-23-33(35)42-3)39(31)44-40-32(41)22-16-28-38(40)46(30-19-9-6-10-20-30)36-26-14-12-24-34(36)43-4/h5-28H,1-4H3/t45-,46+
InChIKeyUAVRIRWLEFEGBK-QWKHHPMFSA-N
XLogP7.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.68
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane
CID 168812261
(3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 138732432
[5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane
CID 126694706
(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
[5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane
CID 20727371
carbanide;bis(cyclopentyl(diphenyl)phosphane);4-diphenylphosphanylbutyl(diphenyl)phosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;5-diphenylphosphanylpentyl(diphenyl)phosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;iron(2+)
CID 162274525
N-[(S)-(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-(4-methoxyphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393922
2-[4,5-bis(diphenylphosphanyl)-9,9-dimethylxanthen-1-yl]acetamide
CID 122478627
[5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane
CID 20727373
[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
CID 134828499

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane?
The IUPAC name of (2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane (CID 154724363) is (2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane.
What is the SMILES notation for (2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane?
The canonical SMILES for (2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane is COc1ccccc1[P@@](c1ccccc1)c1cccc2c1Oc1c([P@@](c3ccccc3)c3ccccc3OC)cccc1C2(C)C.
What is the InChIKey of (2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane?
The InChIKey is UAVRIRWLEFEGBK-QWKHHPMFSA-N. The full InChI is InChI=1S/C41H36O3P2/c1-41(2)31-21-15-27-37(45(29-17-7-5-8-18-29)35-25-13-11-23-33(35)42-3)39(31)44-40-32(41)22-16-28-38(40)46(30-19-9-6-10-20-30)36-26-14-12-24-34(36)43-4/h5-28H,1-4H3/t45-,46+.
What are the key properties of (2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane?
(2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane has a molecular weight of 638.68 g/mol, XLogP of 7.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane is sourced from PubChem (CID 154724363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).