(5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane

C39H32O5P2 — CID 87403644

IUPAC(5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane
SMILESCC1(C)c2ccc(P(Oc3ccccc3)Oc3ccccc3)cc2Oc2c(P(Oc3ccccc3)Oc3ccccc3)cccc21
InChIInChI=1S/C39H32O5P2/c1-39(2)34-27-26-33(45(41-29-16-7-3-8-17-29)42-30-18-9-4-10-19-30)28-36(34)40-38-35(39)24-15-25-37(38)46(43-31-20-11-5-12-21-31)44-32-22-13-6-14-23-32/h3-28H,1-2H3
InChIKeyMYBIPWXFEQAQIA-UHFFFAOYSA-N
MW642.63 g/mol
LogP10.31
Rot. Bonds10

About (5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane

(5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane (PubChem CID 87403644) has the molecular formula C39H32O5P2 and a molecular weight of 642.63 g/mol. Its IUPAC name is (5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane.

Molecular Properties

Compound Name(5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane
PubChem CID87403644
Molecular FormulaC39H32O5P2
Molecular Weight642.63 g/mol
Exact Mass642.17
IUPAC Name(5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane
SMILESCC1(C)c2ccc(P(Oc3ccccc3)Oc3ccccc3)cc2Oc2c(P(Oc3ccccc3)Oc3ccccc3)cccc21
InChIInChI=1S/C39H32O5P2/c1-39(2)34-27-26-33(45(41-29-16-7-3-8-17-29)42-30-18-9-4-10-19-30)28-36(34)40-38-35(39)24-15-25-37(38)46(43-31-20-11-5-12-21-31)44-32-22-13-6-14-23-32/h3-28H,1-2H3
InChIKeyMYBIPWXFEQAQIA-UHFFFAOYSA-N
XLogP10.31
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.63
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxyphenyl)-[5-[(3-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 138732432
[5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane
CID 20727371
[5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane
CID 20727373
(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;9H-xanthene
CID 88764905
[5-diphenylphosphanyl-2-(methoxymethyl)-9,9-dimethylxanthen-4-yl]-diphenylphosphane
CID 126694706
(2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 154724363
[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane
CID 168812261
4,5-bis(diphenylphosphoryl)-9,9-dimethylxanthene;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;hydrogen peroxide
CID 161019366
(9,9-dimethyl-5-phenylphosphanylxanthen-4-yl)-diphenylphosphane
CID 145025633
[5-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-9,9-dimethylxanthen-4-yl]-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
CID 6421024
(4-diphenylphosphanyl-11,11-dimethyl-10H-cyclohepta[b]chromen-6-yl)-diphenylphosphane
CID 143050701
CID 136897725
CID 136897725

Frequently Asked Questions

What is the IUPAC name of (5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane?
The IUPAC name of (5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane (CID 87403644) is (5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane.
What is the SMILES notation for (5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane?
The canonical SMILES for (5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane is CC1(C)c2ccc(P(Oc3ccccc3)Oc3ccccc3)cc2Oc2c(P(Oc3ccccc3)Oc3ccccc3)cccc21.
What is the InChIKey of (5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane?
The InChIKey is MYBIPWXFEQAQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32O5P2/c1-39(2)34-27-26-33(45(41-29-16-7-3-8-17-29)42-30-18-9-4-10-19-30)28-36(34)40-38-35(39)24-15-25-37(38)46(43-31-20-11-5-12-21-31)44-32-22-13-6-14-23-32/h3-28H,1-2H3.
What are the key properties of (5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane?
(5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane has a molecular weight of 642.63 g/mol, XLogP of 10.31, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-diphenoxyphosphanyl-9,9-dimethylxanthen-3-yl)-diphenoxyphosphane is sourced from PubChem (CID 87403644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).