2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane

C28H28N2 — CID 164924440

IUPAC2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane
SMILESc1ccc(C2=C(c3ccc(N4CC5(CNC5)C4)cc3)c3ccccc3CCC2)cc1
InChIInChI=1S/C28H28N2/c1-2-7-21(8-3-1)26-12-6-10-22-9-4-5-11-25(22)27(26)23-13-15-24(16-14-23)30-19-28(20-30)17-29-18-28/h1-5,7-9,11,13-16,29H,6,10,12,17-20H2
InChIKeyIODXTTVUZNFRJP-UHFFFAOYSA-N
MW392.55 g/mol
LogP5.39
Rot. Bonds3

About 2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane

2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 164924440) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane
PubChem CID164924440
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC Name2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane
SMILESc1ccc(C2=C(c3ccc(N4CC5(CNC5)C4)cc3)c3ccccc3CCC2)cc1
InChIInChI=1S/C28H28N2/c1-2-7-21(8-3-1)26-12-6-10-22-9-4-5-11-25(22)27(26)23-13-15-24(16-14-23)30-19-28(20-30)17-29-18-28/h1-5,7-9,11,13-16,29H,6,10,12,17-20H2
InChIKeyIODXTTVUZNFRJP-UHFFFAOYSA-N
XLogP5.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane 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

6-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.5]nonane
CID 164924047
5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 171719803
2-[2-[4-(2-hydroxy-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,7-diazaspiro[3.4]octan-7-yl]acetic acid
CID 171719843
2-[2-[4-(2-hydroxy-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,8-diazaspiro[3.7]undecan-8-yl]acetic acid
CID 164923544
2-[4-(6-cyclohexa-1,3-dien-1-yl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,10-diazaspiro[5.6]dodecane
CID 164922943
3-[4-[6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]prop-2-enoic acid
CID 69320041
4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenol;[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 160940514
5-[4-[4-(3-aminopropyl)-4-propylazepan-1-yl]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 164923029
2,3-diphenylcyclohex-2-en-1-one
CID 2748361
2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[6-(4-fluorophenyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 164923912
3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol
CID 176863835
6-(4-fluorophenyl)-5-phenyl-7,8-dihydronaphthalen-2-ol
CID 173266078

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane (CID 164924440) is 2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane is c1ccc(C2=C(c3ccc(N4CC5(CNC5)C4)cc3)c3ccccc3CCC2)cc1.
What is the InChIKey of 2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is IODXTTVUZNFRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2/c1-2-7-21(8-3-1)26-12-6-10-22-9-4-5-11-25(22)27(26)23-13-15-24(16-14-23)30-19-28(20-30)17-29-18-28/h1-5,7-9,11,13-16,29H,6,10,12,17-20H2.
What are the key properties of 2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane?
2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 392.55 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 164924440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).