1,3,5,7-tetramethyl-4-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5,7-tetraza-4λ5-phosphaspiro[3.3]heptane-2,6-dione

C24H27N5O2P2 — CID 23416823

IUPAC1,3,5,7-tetramethyl-4-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5,7-tetraza-4λ5-phosphaspiro[3.3]heptane-2,6-dione
SMILESCN1C(=O)N(C)P12(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)N(C)C(=O)N2C
InChIInChI=1S/C24H27N5O2P2/c1-26-23(30)27(2)33(26,28(3)24(31)29(33)4)25-32(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19H,1-4H3
InChIKeyWKGJBFVJSQYWGJ-UHFFFAOYSA-N
MW479.46 g/mol
LogP4.29
Rot. Bonds4

About 1,3,5,7-tetramethyl-4-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5,7-tetraza-4λ5-phosphaspiro[3.3]heptane-2,6-dione

1,3,5,7-tetramethyl-4-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5,7-tetraza-4λ5-phosphaspiro[3.3]heptane-2,6-dione (PubChem CID 23416823) has the molecular formula C24H27N5O2P2 and a molecular weight of 479.46 g/mol. Its IUPAC name is 1,3,5,7-tetramethyl-4-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5,7-tetraza-4λ5-phosphaspiro[3.3]heptane-2,6-dione.

Molecular Properties

Compound Name1,3,5,7-tetramethyl-4-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5,7-tetraza-4λ5-phosphaspiro[3.3]heptane-2,6-dione
PubChem CID23416823
Molecular FormulaC24H27N5O2P2
Molecular Weight479.46 g/mol
Exact Mass479.16
IUPAC Name1,3,5,7-tetramethyl-4-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5,7-tetraza-4λ5-phosphaspiro[3.3]heptane-2,6-dione
SMILESCN1C(=O)N(C)P12(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)N(C)C(=O)N2C
InChIInChI=1S/C24H27N5O2P2/c1-26-23(30)27(2)33(26,28(3)24(31)29(33)4)25-32(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19H,1-4H3
InChIKeyWKGJBFVJSQYWGJ-UHFFFAOYSA-N
XLogP4.29
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Urea, N,N'-bis(diphenylphosphino)-N,N'-dimethyl-
CID 12127075
1,3,6,8-Tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4lambda5,5-diphosphaspiro[3.4]octane-2,7-dione
CID 12592282
4-Diphenylphosphanyl-1,3,5,7-tetramethyl-1,3,5,7-tetraza-4lambda5-phosphaspiro[3.3]heptane-2,6-dione
CID 15092765
1,1-Dimethyl-3-(triphenyl-lambda5-phosphanylidene)urea
CID 23417824
1,3-Dimethyl-6,6,8,8-tetraphenyl-1,3,5,7,9-pentaza-4lambda5,6lambda5,8lambda5-triphosphaspiro[3.5]nona-4,6,8-trien-2-one
CID 23419347

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetramethyl-4-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5,7-tetraza-4λ5-phosphaspiro[3.3]heptane-2,6-dione?
The IUPAC name of 1,3,5,7-tetramethyl-4-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5,7-tetraza-4λ5-phosphaspiro[3.3]heptane-2,6-dione (CID 23416823) is 1,3,5,7-tetramethyl-4-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5,7-tetraza-4λ5-phosphaspiro[3.3]heptane-2,6-dione.
What is the SMILES notation for 1,3,5,7-tetramethyl-4-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5,7-tetraza-4λ5-phosphaspiro[3.3]heptane-2,6-dione?
The canonical SMILES for 1,3,5,7-tetramethyl-4-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5,7-tetraza-4λ5-phosphaspiro[3.3]heptane-2,6-dione is CN1C(=O)N(C)P12(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)N(C)C(=O)N2C.
What is the InChIKey of 1,3,5,7-tetramethyl-4-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5,7-tetraza-4λ5-phosphaspiro[3.3]heptane-2,6-dione?
The InChIKey is WKGJBFVJSQYWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2P2/c1-26-23(30)27(2)33(26,28(3)24(31)29(33)4)25-32(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19H,1-4H3.
What are the key properties of 1,3,5,7-tetramethyl-4-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5,7-tetraza-4λ5-phosphaspiro[3.3]heptane-2,6-dione?
1,3,5,7-tetramethyl-4-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5,7-tetraza-4λ5-phosphaspiro[3.3]heptane-2,6-dione has a molecular weight of 479.46 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetramethyl-4-[(triphenyl-λ5-phosphanylidene)amino]-1,3,5,7-tetraza-4λ5-phosphaspiro[3.3]heptane-2,6-dione is sourced from PubChem (CID 23416823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).