2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile

C24H21N3 — CID 628061

IUPAC2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
SMILESN#CC1=C(c2ccccc2)NC(c2ccccc2)=C(C#N)C12CCCCC2
InChIInChI=1S/C24H21N3/c25-16-20-22(18-10-4-1-5-11-18)27-23(19-12-6-2-7-13-19)21(17-26)24(20)14-8-3-9-15-24/h1-2,4-7,10-13,27H,3,8-9,14-15H2
InChIKeyKBOYUTWTNSGEOF-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.41
Rot. Bonds2

About 2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile

2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile (PubChem CID 628061) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile.

Molecular Properties

Compound Name2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
PubChem CID628061
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
SMILESN#CC1=C(c2ccccc2)NC(c2ccccc2)=C(C#N)C12CCCCC2
InChIInChI=1S/C24H21N3/c25-16-20-22(18-10-4-1-5-11-18)27-23(19-12-6-2-7-13-19)21(17-26)24(20)14-8-3-9-15-24/h1-2,4-7,10-13,27H,3,8-9,14-15H2
InChIKeyKBOYUTWTNSGEOF-UHFFFAOYSA-N
XLogP5.41
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,9'-fluorene]-1'-carbonitrile
CID 171440669
1,1-diphenylcyclotetradecane
CID 175822005
spiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile
CID 23151763
7'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440631
7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440822
1,1'-biphenyl;cycloheptane
CID 174877368
7'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-carbonitrile
CID 171441017
7'-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440614
7'-[4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440658
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
3-amino-2-phenyl-1,2-diazaspiro[4.4]non-3-ene-4-carbonitrile
CID 177254086
1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile
CID 628258

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
The IUPAC name of 2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile (CID 628061) is 2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile.
What is the SMILES notation for 2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
The canonical SMILES for 2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile is N#CC1=C(c2ccccc2)NC(c2ccccc2)=C(C#N)C12CCCCC2.
What is the InChIKey of 2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
The InChIKey is KBOYUTWTNSGEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c25-16-20-22(18-10-4-1-5-11-18)27-23(19-12-6-2-7-13-19)21(17-26)24(20)14-8-3-9-15-24/h1-2,4-7,10-13,27H,3,8-9,14-15H2.
What are the key properties of 2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile has a molecular weight of 351.45 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile is sourced from PubChem (CID 628061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).