[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane

C41H36OP2 — CID 168812261

IUPAC[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane
SMILESCc1ccccc1P(c1ccccc1)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3C)cccc1C2(C)C
InChIInChI=1S/C41H36OP2/c1-29-17-11-13-25-35(29)43(31-19-7-5-8-20-31)37-27-15-23-33-39(37)42-40-34(41(33,3)4)24-16-28-38(40)44(32-21-9-6-10-22-32)36-26-14-12-18-30(36)2/h5-28H,1-4H3
InChIKeyASRZHDRAUFRCID-UHFFFAOYSA-N
MW606.69 g/mol
LogP8.25
Rot. Bonds6

About [9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane

[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane (PubChem CID 168812261) has the molecular formula C41H36OP2 and a molecular weight of 606.69 g/mol. Its IUPAC name is [9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane.

Molecular Properties

Compound Name[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane
PubChem CID168812261
Molecular FormulaC41H36OP2
Molecular Weight606.69 g/mol
Exact Mass606.22
IUPAC Name[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane
SMILESCc1ccccc1P(c1ccccc1)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3C)cccc1C2(C)C
InChIInChI=1S/C41H36OP2/c1-29-17-11-13-25-35(29)43(31-19-7-5-8-20-31)37-27-15-23-33-39(37)42-40-34(41(33,3)4)24-16-28-38(40)44(32-21-9-6-10-22-32)36-26-14-12-18-30(36)2/h5-28H,1-4H3
InChIKeyASRZHDRAUFRCID-UHFFFAOYSA-N
XLogP8.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.69
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-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

(2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 154724363
(9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane
CID 145025633
(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
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
[5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane
CID 20727371
(4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane
CID 143050701
2-[4,5-bis(diphenylphosphanyl)-9,9-dimethylxanthen-1-yl]acetamide
CID 122478627
[5-diphenylphosphanyl-9-methyl-9-(2-methylbutyl)xanthen-4-yl]-diphenylphosphane
CID 166647614
benzene;4,5-dihydro-1,3-oxazol-2-olate;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;palladium(2+)
CID 11564136
[5-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-9,9-dimethylxanthen-4-yl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
CID 6421024

Frequently Asked Questions

What is the IUPAC name of [9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane?
The IUPAC name of [9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane (CID 168812261) is [9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane.
What is the SMILES notation for [9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane?
The canonical SMILES for [9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane is Cc1ccccc1P(c1ccccc1)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3C)cccc1C2(C)C.
What is the InChIKey of [9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane?
The InChIKey is ASRZHDRAUFRCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36OP2/c1-29-17-11-13-25-35(29)43(31-19-7-5-8-20-31)37-27-15-23-33-39(37)42-40-34(41(33,3)4)24-16-28-38(40)44(32-21-9-6-10-22-32)36-26-14-12-18-30(36)2/h5-28H,1-4H3.
What are the key properties of [9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane?
[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane has a molecular weight of 606.69 g/mol, XLogP of 8.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane is sourced from PubChem (CID 168812261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).