4-tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene

C22H27N5 — CID 14245625

IUPAC4-tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene
SMILESCC(C)(C)N1C(C)(C)N=NC12CC(c1ccccc1)=NN2c1ccccc1
InChIInChI=1S/C22H27N5/c1-20(2,3)27-21(4,5)24-25-22(27)16-19(17-12-8-6-9-13-17)23-26(22)18-14-10-7-11-15-18/h6-15H,16H2,1-5H3
InChIKeyPTMYEJNGEWJWRL-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.26
Rot. Bonds2

About 4-tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene

4-tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene (PubChem CID 14245625) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene.

Molecular Properties

Compound Name4-tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene
PubChem CID14245625
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name4-tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene
SMILESCC(C)(C)N1C(C)(C)N=NC12CC(c1ccccc1)=NN2c1ccccc1
InChIInChI=1S/C22H27N5/c1-20(2,3)27-21(4,5)24-25-22(27)16-19(17-12-8-6-9-13-17)23-26(22)18-14-10-7-11-15-18/h6-15H,16H2,1-5H3
InChIKeyPTMYEJNGEWJWRL-UHFFFAOYSA-N
XLogP5.26
TPSA43.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-1,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 616784
1H-Pyrazole, 4,5-dihydro-3-(4-methylphenyl)-1-phenyl-
CID 616747
1-Phenylethanone 2,2-diphenylhydrazone
CID 107456
4,5-Dihydro-(1H)-pyrazole derivative, 2e
CID 11658734
5-Methyl-1,3,5-triphenyl-2-pyrazoline
CID 3124415
5-Methyl-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CID 15557190
2-Pyrazoline, 3-phenyl-1-p-tolyl-
CID 616863
(5-Phenyl-3,4-dihydropyrazol-2-yl)-(4-phenylpiperazin-1-yl)methanethione
CID 11602745
4-methyl-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CID 20471159
1,3,6-Triphenyl-6-[(E)-phenyldiazenyl]-1,4,5,6-tetrahydropyridazine
CID 422691
2-[(Dimethylamino)methyl]-4,5-diphenyl-1,2,4-triazole-3-thione
CID 2402530
acetophenone N-methyl-N-phenylhydrazone
CID 350288

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene?
The IUPAC name of 4-tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene (CID 14245625) is 4-tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene.
What is the SMILES notation for 4-tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene?
The canonical SMILES for 4-tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene is CC(C)(C)N1C(C)(C)N=NC12CC(c1ccccc1)=NN2c1ccccc1.
What is the InChIKey of 4-tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene?
The InChIKey is PTMYEJNGEWJWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-20(2,3)27-21(4,5)24-25-22(27)16-19(17-12-8-6-9-13-17)23-26(22)18-14-10-7-11-15-18/h6-15H,16H2,1-5H3.
What are the key properties of 4-tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene?
4-tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene has a molecular weight of 361.49 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene is sourced from PubChem (CID 14245625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).