8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane

C41H41O6P — CID 175872413

IUPAC8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane
SMILESCOc1cccc(OC)c1-c1cccc(-c2c(OC)cccc2OC)c1P1C(c2ccccc2)CC2(CC1c1ccccc1)OCCO2
InChIInChI=1S/C41H41O6P/c1-42-32-20-12-21-33(43-2)38(32)30-18-11-19-31(39-34(44-3)22-13-23-35(39)45-4)40(30)48-36(28-14-7-5-8-15-28)26-41(46-24-25-47-41)27-37(48)29-16-9-6-10-17-29/h5-23,36-37H,24-27H2,1-4H3
InChIKeyDNVMCSMNQVZXNI-UHFFFAOYSA-N
MW660.75 g/mol
LogP9.18
Rot. Bonds9

About 8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane

8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane (PubChem CID 175872413) has the molecular formula C41H41O6P and a molecular weight of 660.75 g/mol. Its IUPAC name is 8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane
PubChem CID175872413
Molecular FormulaC41H41O6P
Molecular Weight660.75 g/mol
Exact Mass660.26
IUPAC Name8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane
SMILESCOc1cccc(OC)c1-c1cccc(-c2c(OC)cccc2OC)c1P1C(c2ccccc2)CC2(CC1c1ccccc1)OCCO2
InChIInChI=1S/C41H41O6P/c1-42-32-20-12-21-33(43-2)38(32)30-18-11-19-31(39-34(44-3)22-13-23-35(39)45-4)40(30)48-36(28-14-7-5-8-15-28)26-41(46-24-25-47-41)27-37(48)29-16-9-6-10-17-29/h5-23,36-37H,24-27H2,1-4H3
InChIKeyDNVMCSMNQVZXNI-UHFFFAOYSA-N
XLogP9.18
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.75
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane?
The IUPAC name of 8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane (CID 175872413) is 8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane.
What is the SMILES notation for 8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane?
The canonical SMILES for 8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane is COc1cccc(OC)c1-c1cccc(-c2c(OC)cccc2OC)c1P1C(c2ccccc2)CC2(CC1c1ccccc1)OCCO2.
What is the InChIKey of 8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane?
The InChIKey is DNVMCSMNQVZXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41O6P/c1-42-32-20-12-21-33(43-2)38(32)30-18-11-19-31(39-34(44-3)22-13-23-35(39)45-4)40(30)48-36(28-14-7-5-8-15-28)26-41(46-24-25-47-41)27-37(48)29-16-9-6-10-17-29/h5-23,36-37H,24-27H2,1-4H3.
What are the key properties of 8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane?
8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane has a molecular weight of 660.75 g/mol, XLogP of 9.18, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane is sourced from PubChem (CID 175872413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).