9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine

C25H22N2 — CID 176830353

IUPAC9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine
SMILESNc1ccc2cccc3c2c1C1(CC3)CCc2cccc3ccc(N)c1c23
InChIInChI=1S/C25H22N2/c26-19-9-7-15-3-1-5-17-11-13-25(23(19)21(15)17)14-12-18-6-2-4-16-8-10-20(27)24(25)22(16)18/h1-10H,11-14,26-27H2
InChIKeyOIJCRYADEXKWSX-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.34
Rot. Bonds

About 9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine

9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine (PubChem CID 176830353) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine.

Molecular Properties

Compound Name9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine
PubChem CID176830353
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine
SMILESNc1ccc2cccc3c2c1C1(CC3)CCc2cccc3ccc(N)c1c23
InChIInChI=1S/C25H22N2/c26-19-9-7-15-3-1-5-17-11-13-25(23(19)21(15)17)14-12-18-6-2-4-16-8-10-20(27)24(25)22(16)18/h1-10H,11-14,26-27H2
InChIKeyOIJCRYADEXKWSX-UHFFFAOYSA-N
XLogP5.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine 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

1,2-dihydroacenaphthylen-3-amine;hydrobromide
CID 158935493
9,9'-spirobi[7,8-dihydrophenalene]-1,1'-dicarbaldehyde
CID 176830338
9,9'-spirobi[7,8-dihydrophenalene]-1,1'-dicarboxylic acid
CID 176830387
1,2-dihydroacenaphthylene
CID 161018660
8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 135280999
(7'S)-7,7'-diphenyl-9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine
CID 176830334
ethane;naphthalene-1,8-diamine
CID 90905453
pyren-1-amine
CID 15352
1,2-dihydroacenaphthylene;perylene
CID 157201241
1,2-dihydroacenaphthylene;dioxotitanium
CID 175288385
fluoranthen-1-amine
CID 25756
(3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
CID 170779967

Frequently Asked Questions

What is the IUPAC name of 9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine?
The IUPAC name of 9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine (CID 176830353) is 9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine.
What is the SMILES notation for 9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine?
The canonical SMILES for 9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine is Nc1ccc2cccc3c2c1C1(CC3)CCc2cccc3ccc(N)c1c23.
What is the InChIKey of 9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine?
The InChIKey is OIJCRYADEXKWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c26-19-9-7-15-3-1-5-17-11-13-25(23(19)21(15)17)14-12-18-6-2-4-16-8-10-20(27)24(25)22(16)18/h1-10H,11-14,26-27H2.
What are the key properties of 9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine?
9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine has a molecular weight of 350.47 g/mol, XLogP of 5.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine is sourced from PubChem (CID 176830353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).