(3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane

C41H36O3P2 — CID 138732432

IUPAC(3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
SMILESCOc1cccc([P@](c2ccccc2)c2cccc3c2Oc2c([P@@](c4ccccc4)c4cccc(OC)c4)cccc2C3(C)C)c1
InChIInChI=1S/C41H36O3P2/c1-41(2)35-23-13-25-37(45(31-17-7-5-8-18-31)33-21-11-15-29(27-33)42-3)39(35)44-40-36(41)24-14-26-38(40)46(32-19-9-6-10-20-32)34-22-12-16-30(28-34)43-4/h5-28H,1-4H3/t45-,46-/m0/s1
InChIKeyGTUVLPCCSLFDTJ-ZYBCLOSLSA-N
MW638.68 g/mol
LogP7.65
Rot. Bonds8

About (3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane

(3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane (PubChem CID 138732432) has the molecular formula C41H36O3P2 and a molecular weight of 638.68 g/mol. Its IUPAC name is (3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane.

Molecular Properties

Compound Name(3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
PubChem CID138732432
Molecular FormulaC41H36O3P2
Molecular Weight638.68 g/mol
Exact Mass638.21
IUPAC Name(3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
SMILESCOc1cccc([P@](c2ccccc2)c2cccc3c2Oc2c([P@@](c4ccccc4)c4cccc(OC)c4)cccc2C3(C)C)c1
InChIInChI=1S/C41H36O3P2/c1-41(2)35-23-13-25-37(45(31-17-7-5-8-18-31)33-21-11-15-29(27-33)42-3)39(35)44-40-36(41)24-14-26-38(40)46(32-19-9-6-10-20-32)34-22-12-16-30(28-34)43-4/h5-28H,1-4H3/t45-,46-/m0/s1
InChIKeyGTUVLPCCSLFDTJ-ZYBCLOSLSA-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

(2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 154724363
[5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane
CID 126694706
[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
bis(4-methoxyphenyl)-[6-[(3-methoxyphenyl)-(4-methoxyphenyl)phosphanyl]phenoxathiin-4-yl]phosphane
CID 127262675
(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;9H-xanthene
CID 88764905
N-[(S)-(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-(4-methoxyphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393922
[5-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-9,9-dimethylxanthen-4-yl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
CID 6421024
(5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane
CID 87403644
(S)-N-[(3,5-ditert-butyl-4-methoxyphenyl)-(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)methyl]-2-methylpropane-2-sulfinamide
CID 172640818
[5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane
CID 20727371
2-[4,5-bis(diphenylphosphanyl)-9,9-dimethylxanthen-1-yl]acetamide
CID 122478627

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane?
The IUPAC name of (3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane (CID 138732432) is (3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane.
What is the SMILES notation for (3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane?
The canonical SMILES for (3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane is COc1cccc([P@](c2ccccc2)c2cccc3c2Oc2c([P@@](c4ccccc4)c4cccc(OC)c4)cccc2C3(C)C)c1.
What is the InChIKey of (3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane?
The InChIKey is GTUVLPCCSLFDTJ-ZYBCLOSLSA-N. The full InChI is InChI=1S/C41H36O3P2/c1-41(2)35-23-13-25-37(45(31-17-7-5-8-18-31)33-21-11-15-29(27-33)42-3)39(35)44-40-36(41)24-14-26-38(40)46(32-19-9-6-10-20-32)34-22-12-16-30(28-34)43-4/h5-28H,1-4H3/t45-,46-/m0/s1.
What are the key properties of (3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane?
(3-methoxyphenyl)-[5-[(3-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 (3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane is sourced from PubChem (CID 138732432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).