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

C43H40O5P2 — CID 20727371

IUPAC[5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane
SMILESCc1ccccc1OP(Oc1ccccc1C)c1cccc2c1Oc1c(P(Oc3ccccc3C)Oc3ccccc3C)cccc1C2(C)C
InChIInChI=1S/C43H40O5P2/c1-29-17-7-11-23-35(29)45-49(46-36-24-12-8-18-30(36)2)39-27-15-21-33-41(39)44-42-34(43(33,5)6)22-16-28-40(42)50(47-37-25-13-9-19-31(37)3)48-38-26-14-10-20-32(38)4/h7-28H,1-6H3
InChIKeyLCYZJWQEYRKKAV-UHFFFAOYSA-N
MW698.74 g/mol
LogP11.54
Rot. Bonds10

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

[5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane (PubChem CID 20727371) has the molecular formula C43H40O5P2 and a molecular weight of 698.74 g/mol. Its IUPAC name is [5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane.

Molecular Properties

Compound Name[5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane
PubChem CID20727371
Molecular FormulaC43H40O5P2
Molecular Weight698.74 g/mol
Exact Mass698.24
IUPAC Name[5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane
SMILESCc1ccccc1OP(Oc1ccccc1C)c1cccc2c1Oc1c(P(Oc3ccccc3C)Oc3ccccc3C)cccc1C2(C)C
InChIInChI=1S/C43H40O5P2/c1-29-17-7-11-23-35(29)45-49(46-36-24-12-8-18-30(36)2)39-27-15-21-33-41(39)44-42-34(43(33,5)6)22-16-28-40(42)50(47-37-25-13-9-19-31(37)3)48-38-26-14-10-20-32(38)4/h7-28H,1-6H3
InChIKeyLCYZJWQEYRKKAV-UHFFFAOYSA-N
XLogP11.54
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.74
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane?
The IUPAC name of [5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane (CID 20727371) is [5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane.
What is the SMILES notation for [5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane?
The canonical SMILES for [5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane is Cc1ccccc1OP(Oc1ccccc1C)c1cccc2c1Oc1c(P(Oc3ccccc3C)Oc3ccccc3C)cccc1C2(C)C.
What is the InChIKey of [5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane?
The InChIKey is LCYZJWQEYRKKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40O5P2/c1-29-17-7-11-23-35(29)45-49(46-36-24-12-8-18-30(36)2)39-27-15-21-33-41(39)44-42-34(43(33,5)6)22-16-28-40(42)50(47-37-25-13-9-19-31(37)3)48-38-26-14-10-20-32(38)4/h7-28H,1-6H3.
What are the key properties of [5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane?
[5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane has a molecular weight of 698.74 g/mol, XLogP of 11.54, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bis(2-methylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-methylphenoxy)phosphane is sourced from PubChem (CID 20727371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).