dibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane

C59H52O3P2 — CID 175712371

IUPACdibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
SMILESCC(C)(C)c1cc(P(c2ccccc2)c2cccc3c2oc2ccccc23)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(P(c3ccccc3)c3cccc4c3oc3ccccc34)c1O2
InChIInChI=1S/C59H52O3P2/c1-57(2,3)37-33-45-55(51(35-37)63(39-21-11-9-12-22-39)49-31-19-27-43-41-25-15-17-29-47(41)60-53(43)49)62-56-46(59(45,7)8)34-38(58(4,5)6)36-52(56)64(40-23-13-10-14-24-40)50-32-20-28-44-42-26-16-18-30-48(42)61-54(44)50/h9-36H,1-8H3
InChIKeyZGTNBRLMQJDBDR-UHFFFAOYSA-N
MW871.01 g/mol
LogP14.03
Rot. Bonds6

About dibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane

dibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane (PubChem CID 175712371) has the molecular formula C59H52O3P2 and a molecular weight of 871.01 g/mol. Its IUPAC name is dibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane.

Molecular Properties

Compound Namedibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
PubChem CID175712371
Molecular FormulaC59H52O3P2
Molecular Weight871.01 g/mol
Exact Mass870.34
IUPAC Namedibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
SMILESCC(C)(C)c1cc(P(c2ccccc2)c2cccc3c2oc2ccccc23)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(P(c3ccccc3)c3cccc4c3oc3ccccc34)c1O2
InChIInChI=1S/C59H52O3P2/c1-57(2,3)37-33-45-55(51(35-37)63(39-21-11-9-12-22-39)49-31-19-27-43-41-25-15-17-29-47(41)60-53(43)49)62-56-46(59(45,7)8)34-38(58(4,5)6)36-52(56)64(40-23-13-10-14-24-40)50-32-20-28-44-42-26-16-18-30-48(42)61-54(44)50/h9-36H,1-8H3
InChIKeyZGTNBRLMQJDBDR-UHFFFAOYSA-N
XLogP14.03
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.01
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane 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

[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane
CID 168812261
(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
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene
CID 58261464
[5-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-9,9-dimethylxanthen-4-yl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
CID 6421024
4,5-bis(diphenylphosphoryl)-9,9-dimethylxanthene;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;hydrogen peroxide
CID 161019366
4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran
CID 87688488
[5-diphenylphosphanyl-9,9-dimethyl-2,7-bis(prop-2-enyl)xanthen-4-yl]-diphenylphosphane
CID 87147789
(9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane
CID 145025633
3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one
CID 71260985
24-tert-butyl-18,18,21,21-tetramethyl-15-(10-phenylanthracen-9-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 139477686

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane?
The IUPAC name of dibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane (CID 175712371) is dibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane.
What is the SMILES notation for dibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane?
The canonical SMILES for dibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane is CC(C)(C)c1cc(P(c2ccccc2)c2cccc3c2oc2ccccc23)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(P(c3ccccc3)c3cccc4c3oc3ccccc34)c1O2.
What is the InChIKey of dibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane?
The InChIKey is ZGTNBRLMQJDBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H52O3P2/c1-57(2,3)37-33-45-55(51(35-37)63(39-21-11-9-12-22-39)49-31-19-27-43-41-25-15-17-29-47(41)60-53(43)49)62-56-46(59(45,7)8)34-38(58(4,5)6)36-52(56)64(40-23-13-10-14-24-40)50-32-20-28-44-42-26-16-18-30-48(42)61-54(44)50/h9-36H,1-8H3.
What are the key properties of dibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane?
dibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane has a molecular weight of 871.01 g/mol, XLogP of 14.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane is sourced from PubChem (CID 175712371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).