2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane]

C20H24N3O2P — CID 12668363

IUPAC2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane]
SMILESCN1CCN2CCN(C)P123OC(c1ccccc1)=C(c1ccccc1)O3
InChIInChI=1S/C20H24N3O2P/c1-21-13-15-23-16-14-22(2)26(21,23)24-19(17-9-5-3-6-10-17)20(25-26)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
InChIKeyNSIBMNSSBDZDNY-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.88
Rot. Bonds2

About 2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane]

2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane] (PubChem CID 12668363) has the molecular formula C20H24N3O2P and a molecular weight of 369.40 g/mol. Its IUPAC name is 2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane].

Molecular Properties

Compound Name2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane]
PubChem CID12668363
Molecular FormulaC20H24N3O2P
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane]
SMILESCN1CCN2CCN(C)P123OC(c1ccccc1)=C(c1ccccc1)O3
InChIInChI=1S/C20H24N3O2P/c1-21-13-15-23-16-14-22(2)26(21,23)24-19(17-9-5-3-6-10-17)20(25-26)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
InChIKeyNSIBMNSSBDZDNY-UHFFFAOYSA-N
XLogP3.88
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane] with MolForge

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Related Compounds

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2-methoxy-1,3-dimethylspiro[1,3-diaza-2λ5-phosphacyclopentane-2,4'-3,5-dioxa-4λ5-phosphatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaene]
CID 23413132
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bis(1,1'-biphenyl);sulfane
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Frequently Asked Questions

What is the IUPAC name of 2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane]?
The IUPAC name of 2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane] (CID 12668363) is 2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane].
What is the SMILES notation for 2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane]?
The canonical SMILES for 2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane] is CN1CCN2CCN(C)P123OC(c1ccccc1)=C(c1ccccc1)O3.
What is the InChIKey of 2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane]?
The InChIKey is NSIBMNSSBDZDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N3O2P/c1-21-13-15-23-16-14-22(2)26(21,23)24-19(17-9-5-3-6-10-17)20(25-26)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3.
What are the key properties of 2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane]?
2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane] has a molecular weight of 369.40 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane] is sourced from PubChem (CID 12668363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).