3,6-ditert-butyl-N-methylfluoren-9-imine

C22H27N — CID 163743423

IUPAC3,6-ditert-butyl-N-methylfluoren-9-imine
SMILESCN=C1c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C22H27N/c1-21(2,3)14-8-10-16-18(12-14)19-13-15(22(4,5)6)9-11-17(19)20(16)23-7/h8-13H,1-7H3
InChIKeyLJSYCMOBPPHVMV-UHFFFAOYSA-N
MW305.47 g/mol
LogP5.73
Rot. Bonds

About 3,6-ditert-butyl-N-methylfluoren-9-imine

3,6-ditert-butyl-N-methylfluoren-9-imine (PubChem CID 163743423) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is 3,6-ditert-butyl-N-methylfluoren-9-imine.

Molecular Properties

Compound Name3,6-ditert-butyl-N-methylfluoren-9-imine
PubChem CID163743423
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC Name3,6-ditert-butyl-N-methylfluoren-9-imine
SMILESCN=C1c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C22H27N/c1-21(2,3)14-8-10-16-18(12-14)19-13-15(22(4,5)6)9-11-17(19)20(16)23-7/h8-13H,1-7H3
InChIKeyLJSYCMOBPPHVMV-UHFFFAOYSA-N
XLogP5.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 55.73
H-Bond Donors ≤ 50
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 3,6-ditert-butyl-N-methylfluoren-9-imine?
The IUPAC name of 3,6-ditert-butyl-N-methylfluoren-9-imine (CID 163743423) is 3,6-ditert-butyl-N-methylfluoren-9-imine.
What is the SMILES notation for 3,6-ditert-butyl-N-methylfluoren-9-imine?
The canonical SMILES for 3,6-ditert-butyl-N-methylfluoren-9-imine is CN=C1c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 3,6-ditert-butyl-N-methylfluoren-9-imine?
The InChIKey is LJSYCMOBPPHVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N/c1-21(2,3)14-8-10-16-18(12-14)19-13-15(22(4,5)6)9-11-17(19)20(16)23-7/h8-13H,1-7H3.
What are the key properties of 3,6-ditert-butyl-N-methylfluoren-9-imine?
3,6-ditert-butyl-N-methylfluoren-9-imine has a molecular weight of 305.47 g/mol, XLogP of 5.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-N-methylfluoren-9-imine is sourced from PubChem (CID 163743423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).