5-[(1E)-1-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]-2,3-dihydroinden-5-yl]-2H-tetrazole

C26H30N4 — CID 20658747

IUPAC5-[(1E)-1-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]-2,3-dihydroinden-5-yl]-2H-tetrazole
SMILESCc1cc2c(cc1/C=C1\CCc3cc(-c4nn[nH]n4)ccc31)C(C)(C)CCC2(C)C
InChIInChI=1S/C26H30N4/c1-16-12-22-23(26(4,5)11-10-25(22,2)3)15-20(16)14-18-7-6-17-13-19(8-9-21(17)18)24-27-29-30-28-24/h8-9,12-15H,6-7,10-11H2,1-5H3,(H,27,28,29,30)/b18-14+
InChIKeyFRZSTBNOAFXWIF-NBVRZTHBSA-N
MW398.55 g/mol
LogP6.01
Rot. Bonds2

About 5-[(1E)-1-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]-2,3-dihydroinden-5-yl]-2H-tetrazole

5-[(1E)-1-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]-2,3-dihydroinden-5-yl]-2H-tetrazole (PubChem CID 20658747) has the molecular formula C26H30N4 and a molecular weight of 398.55 g/mol. Its IUPAC name is 5-[(1E)-1-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]-2,3-dihydroinden-5-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(1E)-1-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]-2,3-dihydroinden-5-yl]-2H-tetrazole
PubChem CID20658747
Molecular FormulaC26H30N4
Molecular Weight398.55 g/mol
Exact Mass398.25
IUPAC Name5-[(1E)-1-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]-2,3-dihydroinden-5-yl]-2H-tetrazole
SMILESCc1cc2c(cc1/C=C1\CCc3cc(-c4nn[nH]n4)ccc31)C(C)(C)CCC2(C)C
InChIInChI=1S/C26H30N4/c1-16-12-22-23(26(4,5)11-10-25(22,2)3)15-20(16)14-18-7-6-17-13-19(8-9-21(17)18)24-27-29-30-28-24/h8-9,12-15H,6-7,10-11H2,1-5H3,(H,27,28,29,30)/b18-14+
InChIKeyFRZSTBNOAFXWIF-NBVRZTHBSA-N
XLogP6.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1E)-1-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]-2,3-dihydroinden-5-yl]-2H-tetrazole?
The IUPAC name of 5-[(1E)-1-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]-2,3-dihydroinden-5-yl]-2H-tetrazole (CID 20658747) is 5-[(1E)-1-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]-2,3-dihydroinden-5-yl]-2H-tetrazole.
What is the SMILES notation for 5-[(1E)-1-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]-2,3-dihydroinden-5-yl]-2H-tetrazole?
The canonical SMILES for 5-[(1E)-1-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]-2,3-dihydroinden-5-yl]-2H-tetrazole is Cc1cc2c(cc1/C=C1\CCc3cc(-c4nn[nH]n4)ccc31)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-[(1E)-1-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]-2,3-dihydroinden-5-yl]-2H-tetrazole?
The InChIKey is FRZSTBNOAFXWIF-NBVRZTHBSA-N. The full InChI is InChI=1S/C26H30N4/c1-16-12-22-23(26(4,5)11-10-25(22,2)3)15-20(16)14-18-7-6-17-13-19(8-9-21(17)18)24-27-29-30-28-24/h8-9,12-15H,6-7,10-11H2,1-5H3,(H,27,28,29,30)/b18-14+.
What are the key properties of 5-[(1E)-1-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]-2,3-dihydroinden-5-yl]-2H-tetrazole?
5-[(1E)-1-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]-2,3-dihydroinden-5-yl]-2H-tetrazole has a molecular weight of 398.55 g/mol, XLogP of 6.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E)-1-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]-2,3-dihydroinden-5-yl]-2H-tetrazole is sourced from PubChem (CID 20658747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).