[5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane

C55H64O5P2 — CID 20727373

IUPAC[5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane
SMILESCC(C)(C)c1ccccc1OP(Oc1ccccc1C(C)(C)C)c1cccc2c1Oc1c(P(Oc3ccccc3C(C)(C)C)Oc3ccccc3C(C)(C)C)cccc1C2(C)C
InChIInChI=1S/C55H64O5P2/c1-51(2,3)37-25-15-19-31-43(37)57-61(58-44-32-20-16-26-38(44)52(4,5)6)47-35-23-29-41-49(47)56-50-42(55(41,13)14)30-24-36-48(50)62(59-45-33-21-17-27-39(45)53(7,8)9)60-46-34-22-18-28-40(46)54(10,11)12/h15-36H,1-14H3
InChIKeyUYSIZOGSYRGHAA-UHFFFAOYSA-N
MW867.06 g/mol
LogP15.50
Rot. Bonds10

About [5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane

[5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane (PubChem CID 20727373) has the molecular formula C55H64O5P2 and a molecular weight of 867.06 g/mol. Its IUPAC name is [5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane.

Molecular Properties

Compound Name[5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane
PubChem CID20727373
Molecular FormulaC55H64O5P2
Molecular Weight867.06 g/mol
Exact Mass866.42
IUPAC Name[5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane
SMILESCC(C)(C)c1ccccc1OP(Oc1ccccc1C(C)(C)C)c1cccc2c1Oc1c(P(Oc3ccccc3C(C)(C)C)Oc3ccccc3C(C)(C)C)cccc1C2(C)C
InChIInChI=1S/C55H64O5P2/c1-51(2,3)37-25-15-19-31-43(37)57-61(58-44-32-20-16-26-38(44)52(4,5)6)47-35-23-29-41-49(47)56-50-42(55(41,13)14)30-24-36-48(50)62(59-45-33-21-17-27-39(45)53(7,8)9)60-46-34-22-18-28-40(46)54(10,11)12/h15-36H,1-14H3
InChIKeyUYSIZOGSYRGHAA-UHFFFAOYSA-N
XLogP15.50
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.06
LogP ≤ 515.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane
CID 20727371
(2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 154724363
(5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane
CID 87403644
bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane
CID 54542176
(3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 138732432
[5-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-9,9-dimethylxanthen-4-yl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
CID 6421024
[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane
CID 168812261
4-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-6-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)phenoxathiine;4,8-ditert-butyl-6-[5-(4-tert-butyl-2,10-dimethoxy-8-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-9,9-dimethylxanthen-4-yl]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine;(5-diphenoxyphosphanyl-9,9-dimethylxanthen-4-yl)-diphenoxyphosphane;propane
CID 159810971
(2-tert-butylphenoxy)-di(propan-2-yl)phosphane
CID 11346160
4,5-bis(diphenylphosphoryl)-9,9-dimethylxanthene;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;hydrogen peroxide
CID 161019366
(S)-N-[(3,5-ditert-butyl-4-methoxyphenyl)-(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)methyl]-2-methylpropane-2-sulfinamide
CID 172640818
(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;9H-xanthene
CID 88764905

Frequently Asked Questions

What is the IUPAC name of [5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane?
The IUPAC name of [5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane (CID 20727373) is [5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane.
What is the SMILES notation for [5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane?
The canonical SMILES for [5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane is CC(C)(C)c1ccccc1OP(Oc1ccccc1C(C)(C)C)c1cccc2c1Oc1c(P(Oc3ccccc3C(C)(C)C)Oc3ccccc3C(C)(C)C)cccc1C2(C)C.
What is the InChIKey of [5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane?
The InChIKey is UYSIZOGSYRGHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H64O5P2/c1-51(2,3)37-25-15-19-31-43(37)57-61(58-44-32-20-16-26-38(44)52(4,5)6)47-35-23-29-41-49(47)56-50-42(55(41,13)14)30-24-36-48(50)62(59-45-33-21-17-27-39(45)53(7,8)9)60-46-34-22-18-28-40(46)54(10,11)12/h15-36H,1-14H3.
What are the key properties of [5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane?
[5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane has a molecular weight of 867.06 g/mol, XLogP of 15.50, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane is sourced from PubChem (CID 20727373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).