ZFJ

(4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine

Created: 2021-04-16
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count0
Bond Count52
Aromatic Bond Count12
2D diagram of ZFJ

Chemical Component Summary

Name(4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine
Systematic Name (OpenEye OEToolkits)~{N},~{N}-diethyl-9,9-dimethyl-7-[(~{E})-prop-1-enyl]fluoren-2-amine
FormulaC22 H27 N
Molecular Weight305.456
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01CCN(CC)c1ccc2c3ccc(cc3C(C)(C)c2c1)\C=C\C
SMILESCACTVS3.385CCN(CC)c1ccc2c3ccc(C=CC)cc3C(C)(C)c2c1
SMILESOpenEye OEToolkits2.0.7CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)C=CC)(C)C
Canonical SMILESCACTVS3.385 CCN(CC)c1ccc2c3ccc(\C=C\C)cc3C(C)(C)c2c1
Canonical SMILESOpenEye OEToolkits2.0.7 CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)/C=C/C)(C)C
InChIInChI1.03 InChI=1S/C22H27N/c1-6-9-16-10-12-18-19-13-11-17(23(7-2)8-3)15-21(19)22(4,5)20(18)14-16/h6,9-15H,7-8H2,1-5H3/b9-6+
InChIKeyInChI1.03 UMARKYXLRJLTSK-RMKNXTFCSA-N

Related Resource References

Resource NameReference
PubChem 162394540