(7'S)-7,7'-diphenyl-9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine

C37H30N2 — CID 176830334

IUPAC(7'S)-7,7'-diphenyl-9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine
SMILESNc1ccc2cccc3c2c1C1(CC3c2ccccc2)C[C@@H](c2ccccc2)c2cccc3ccc(N)c1c23
InChIInChI=1S/C37H30N2/c38-31-19-17-25-13-7-15-27-29(23-9-3-1-4-10-23)21-37(35(31)33(25)27)22-30(24-11-5-2-6-12-24)28-16-8-14-26-18-20-32(39)36(37)34(26)28/h1-20,29-30H,21-22,38-39H2/t29-,30?,37?/m0/s1
InChIKeyADCRFFUEQJBKPN-YNBHBJMKSA-N
MW502.66 g/mol
LogP8.51
Rot. Bonds2

About (7'S)-7,7'-diphenyl-9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine

(7'S)-7,7'-diphenyl-9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine (PubChem CID 176830334) has the molecular formula C37H30N2 and a molecular weight of 502.66 g/mol. Its IUPAC name is (7'S)-7,7'-diphenyl-9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine.

Molecular Properties

Compound Name(7'S)-7,7'-diphenyl-9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine
PubChem CID176830334
Molecular FormulaC37H30N2
Molecular Weight502.66 g/mol
Exact Mass502.24
IUPAC Name(7'S)-7,7'-diphenyl-9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine
SMILESNc1ccc2cccc3c2c1C1(CC3c2ccccc2)C[C@@H](c2ccccc2)c2cccc3ccc(N)c1c23
InChIInChI=1S/C37H30N2/c38-31-19-17-25-13-7-15-27-29(23-9-3-1-4-10-23)21-37(35(31)33(25)27)22-30(24-11-5-2-6-12-24)28-16-8-14-26-18-20-32(39)36(37)34(26)28/h1-20,29-30H,21-22,38-39H2/t29-,30?,37?/m0/s1
InChIKeyADCRFFUEQJBKPN-YNBHBJMKSA-N
XLogP8.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 58.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7'S)-7,7'-diphenyl-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

9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine
CID 176830353
(1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene
CID 159807996
7-phenyl-7,12-dihydropleiadene
CID 615155
10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one
CID 132851249
(1S,3R)-1-phenylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 15870810
1,2-dihydroacenaphthylen-3-amine;hydrobromide
CID 158935493
tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine
CID 18931735
11-phenyl-11H-benzo[a]fluoren-1-ol
CID 177323934
pyren-1-amine
CID 15352
1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene
CID 175297840
fluoranthen-1-amine
CID 25756
2-(3,3,4,4-tetramethylcyclopentyl)aniline
CID 23142752

Frequently Asked Questions

What is the IUPAC name of (7'S)-7,7'-diphenyl-9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine?
The IUPAC name of (7'S)-7,7'-diphenyl-9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine (CID 176830334) is (7'S)-7,7'-diphenyl-9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine.
What is the SMILES notation for (7'S)-7,7'-diphenyl-9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine?
The canonical SMILES for (7'S)-7,7'-diphenyl-9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine is Nc1ccc2cccc3c2c1C1(CC3c2ccccc2)C[C@@H](c2ccccc2)c2cccc3ccc(N)c1c23.
What is the InChIKey of (7'S)-7,7'-diphenyl-9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine?
The InChIKey is ADCRFFUEQJBKPN-YNBHBJMKSA-N. The full InChI is InChI=1S/C37H30N2/c38-31-19-17-25-13-7-15-27-29(23-9-3-1-4-10-23)21-37(35(31)33(25)27)22-30(24-11-5-2-6-12-24)28-16-8-14-26-18-20-32(39)36(37)34(26)28/h1-20,29-30H,21-22,38-39H2/t29-,30?,37?/m0/s1.
What are the key properties of (7'S)-7,7'-diphenyl-9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine?
(7'S)-7,7'-diphenyl-9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine has a molecular weight of 502.66 g/mol, XLogP of 8.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7'S)-7,7'-diphenyl-9,9'-spirobi[7,8-dihydrophenalene]-1,1'-diamine is sourced from PubChem (CID 176830334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).