(2,7-Di-tert-butyl-9H-fluoren-9-yl)(trimethyl)silane

CAS Number: 136480-41-6
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CC(C)(C)c(cc1)cc(C2[Si](C)(C)C)c1-c1c2cc(C(C)(C)C)cc1
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: high
Formula
C24H34Si
Molecular Weight
350.62
Drug-likeness
-50.959
CAS
136480-41-6
InChI key
RKQNKMRTZYMJBS-UHFFFAOYSA-N
SMILES
CC(C)(C)c(cc1)cc(C2[Si](C)(C)C)c1-c1c2cc(C(C)(C)C)cc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 136480-41-6
Molecule Name (2,7-Di-tert-butyl-9H-fluoren-9-yl)(trimethyl)silane
Molecular Formula C24H34Si
SMILES CC(C)(C)c(cc1)cc(C2[Si](C)(C)C)c1-c1c2cc(C(C)(C)C)cc1
InChI InChI=1S/C24H34Si/c1-23(2,3)16-10-12-18-19-13-11-17(24(4,5)6)15-21(19)22(20(18)14-16)25(7,8)9/h10-15,22H,1-9H3
InChI Key RKQNKMRTZYMJBS-UHFFFAOYSA-N
CanonicalSyTyLFy c869cec28a615f58
TotalMolweight 350.62
Molecular Weight 350.62
MonoisotopicMass 350.242977
CLogP 8.2383
CLogS -8.864
TotalSurfaceArea 276.68
Drug-likeness -50.959
Mutagenic high
Tumorigenic high
Reproductive Effective none
Irritant high
Shape Index 0.44
Molecula Flexibility 0.34907
Molecular Complexity 0.84087
Fragments 1
Non HAtoms 25
NonCHAtoms 1
Rotatable Bond 3
Rings Closures 3
Small Rings 3
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 12
Symmetricatoms 14

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