(2-tert-butyl-7,9-dimethyl-3,4-didehydrofluoren-9-yl)methanimine

C20H21N — CID 89356100

IUPAC(2-tert-butyl-7,9-dimethyl-3,4-didehydrofluoren-9-yl)methanimine
SMILES[H]/N=C/C1(C)c2cc(C(C)(C)C)c#cc2-c2ccc(C)cc21
InChIInChI=1S/C20H21N/c1-13-6-8-15-16-9-7-14(19(2,3)4)11-18(16)20(5,12-21)17(15)10-13/h6,8,10-12,21H,1-5H3/b21-12+
InChIKeyASIZRWYYPMFQBA-CIAFOILYSA-N
MW275.39 g/mol
LogP4.83
Rot. Bonds1

About (2-tert-butyl-7,9-dimethyl-3,4-didehydrofluoren-9-yl)methanimine

(2-tert-butyl-7,9-dimethyl-3,4-didehydrofluoren-9-yl)methanimine (PubChem CID 89356100) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is (2-tert-butyl-7,9-dimethyl-3,4-didehydrofluoren-9-yl)methanimine.

Molecular Properties

Compound Name(2-tert-butyl-7,9-dimethyl-3,4-didehydrofluoren-9-yl)methanimine
PubChem CID89356100
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC Name(2-tert-butyl-7,9-dimethyl-3,4-didehydrofluoren-9-yl)methanimine
SMILES[H]/N=C/C1(C)c2cc(C(C)(C)C)c#cc2-c2ccc(C)cc21
InChIInChI=1S/C20H21N/c1-13-6-8-15-16-9-7-14(19(2,3)4)11-18(16)20(5,12-21)17(15)10-13/h6,8,10-12,21H,1-5H3/b21-12+
InChIKeyASIZRWYYPMFQBA-CIAFOILYSA-N
XLogP4.83
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-7,9-dimethyl-3,4-didehydrofluoren-9-yl)methanimine?
The IUPAC name of (2-tert-butyl-7,9-dimethyl-3,4-didehydrofluoren-9-yl)methanimine (CID 89356100) is (2-tert-butyl-7,9-dimethyl-3,4-didehydrofluoren-9-yl)methanimine.
What is the SMILES notation for (2-tert-butyl-7,9-dimethyl-3,4-didehydrofluoren-9-yl)methanimine?
The canonical SMILES for (2-tert-butyl-7,9-dimethyl-3,4-didehydrofluoren-9-yl)methanimine is [H]/N=C/C1(C)c2cc(C(C)(C)C)c#cc2-c2ccc(C)cc21.
What is the InChIKey of (2-tert-butyl-7,9-dimethyl-3,4-didehydrofluoren-9-yl)methanimine?
The InChIKey is ASIZRWYYPMFQBA-CIAFOILYSA-N. The full InChI is InChI=1S/C20H21N/c1-13-6-8-15-16-9-7-14(19(2,3)4)11-18(16)20(5,12-21)17(15)10-13/h6,8,10-12,21H,1-5H3/b21-12+.
What are the key properties of (2-tert-butyl-7,9-dimethyl-3,4-didehydrofluoren-9-yl)methanimine?
(2-tert-butyl-7,9-dimethyl-3,4-didehydrofluoren-9-yl)methanimine has a molecular weight of 275.39 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-7,9-dimethyl-3,4-didehydrofluoren-9-yl)methanimine is sourced from PubChem (CID 89356100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).