2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene

C19H18N2 — CID 757371

IUPAC2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene
SMILESc1ccc(C2=NC3(CCCC3)N=C2c2ccccc2)cc1
InChIInChI=1S/C19H18N2/c1-3-9-15(10-4-1)17-18(16-11-5-2-6-12-16)21-19(20-17)13-7-8-14-19/h1-6,9-12H,7-8,13-14H2
InChIKeyWOLDICVUVLWJKD-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.25
Rot. Bonds2

About 2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene

2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene (PubChem CID 757371) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene.

Molecular Properties

Compound Name2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene
PubChem CID757371
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene
SMILESc1ccc(C2=NC3(CCCC3)N=C2c2ccccc2)cc1
InChIInChI=1S/C19H18N2/c1-3-9-15(10-4-1)17-18(16-11-5-2-6-12-16)21-19(20-17)13-7-8-14-19/h1-6,9-12H,7-8,13-14H2
InChIKeyWOLDICVUVLWJKD-UHFFFAOYSA-N
XLogP4.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene?
The IUPAC name of 2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene (CID 757371) is 2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene.
What is the SMILES notation for 2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene?
The canonical SMILES for 2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene is c1ccc(C2=NC3(CCCC3)N=C2c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene?
The InChIKey is WOLDICVUVLWJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-3-9-15(10-4-1)17-18(16-11-5-2-6-12-16)21-19(20-17)13-7-8-14-19/h1-6,9-12H,7-8,13-14H2.
What are the key properties of 2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene?
2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene has a molecular weight of 274.37 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene is sourced from PubChem (CID 757371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).