(14,14-Diphenyltetradecyl)phosphane

CAS Number: 114768-07-9
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PCCCCCCCCCCCCCC(c1ccccc1)c1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C26H39P
Molecular Weight
382.57
Drug-likeness
-8.3394
CAS
114768-07-9
InChI key
DCXIDFQPBJYUBL-UHFFFAOYSA-N
SMILES
PCCCCCCCCCCCCCC(c1ccccc1)c1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 114768-07-9
Molecule Name (14,14-Diphenyltetradecyl)phosphane
Molecular Formula C26H39P
SMILES PCCCCCCCCCCCCCC(c1ccccc1)c1ccccc1
InChI InChI=1S/C26H39P/c27-23-17-9-7-5-3-1-2-4-6-8-16-22-26(24-18-12-10-13-19-24)25-20-14-11-15-21-25/h10-15,18-21,26H,1-9,16-17,22-23,27H2
InChI Key DCXIDFQPBJYUBL-UHFFFAOYSA-N
CanonicalSyTyLFy 8f0038dbd0469483
TotalMolweight 382.57
Molecular Weight 382.57
MonoisotopicMass 382.278937
CLogP 9.0588
CLogS -6.718
TotalSurfaceArea 317.65
Drug-likeness -8.3394
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.7037
Molecula Flexibility 0.46574
Molecular Complexity 0.55597
Fragments 1
Non HAtoms 27
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 15
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 15
Symmetricatoms 8

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