(9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane

C33H28OP2 — CID 145025633

IUPAC(9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane
SMILESCC1(C)c2cccc(Pc3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C33H28OP2/c1-33(2)27-20-12-22-29(35-24-14-6-3-7-15-24)31(27)34-32-28(33)21-13-23-30(32)36(25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-23,35H,1-2H3
InChIKeyWLEKBDBFCIYAKQ-UHFFFAOYSA-N
MW502.53 g/mol
LogP6.51
Rot. Bonds5

About (9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane

(9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane (PubChem CID 145025633) has the molecular formula C33H28OP2 and a molecular weight of 502.53 g/mol. Its IUPAC name is (9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane.

Molecular Properties

Compound Name(9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane
PubChem CID145025633
Molecular FormulaC33H28OP2
Molecular Weight502.53 g/mol
Exact Mass502.16
IUPAC Name(9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane
SMILESCC1(C)c2cccc(Pc3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C33H28OP2/c1-33(2)27-20-12-22-29(35-24-14-6-3-7-15-24)31(27)34-32-28(33)21-13-23-30(32)36(25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-23,35H,1-2H3
InChIKeyWLEKBDBFCIYAKQ-UHFFFAOYSA-N
XLogP6.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.53
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane 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
(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;9H-xanthene
CID 88764905
(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
4,5-bis(diphenylphosphoryl)-9,9-dimethylxanthene;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;hydrogen peroxide
CID 161019366
[5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane
CID 126694706
2-[4,5-bis(diphenylphosphanyl)-9,9-dimethylxanthen-1-yl]acetamide
CID 122478627
[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
N-(4-bromophenyl)-1-pyrrol-1-id-2-ylmethanimine;copper(1+);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane
CID 171365133
benzene;4,5-dihydro-1,3-oxazol-2-olate;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;palladium(2+)
CID 11564136
(4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane
CID 143050701

Frequently Asked Questions

What is the IUPAC name of (9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane?
The IUPAC name of (9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane (CID 145025633) is (9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane.
What is the SMILES notation for (9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane?
The canonical SMILES for (9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane is CC1(C)c2cccc(Pc3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.
What is the InChIKey of (9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane?
The InChIKey is WLEKBDBFCIYAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28OP2/c1-33(2)27-20-12-22-29(35-24-14-6-3-7-15-24)31(27)34-32-28(33)21-13-23-30(32)36(25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-23,35H,1-2H3.
What are the key properties of (9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane?
(9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane has a molecular weight of 502.53 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane is sourced from PubChem (CID 145025633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).