(1S,2R)-1,2-diphenyl-1,2-bis[4-(trifluoromethyl)phenyl]disilinane

C30H26F6Si2 — CID 102352325

IUPAC(1S,2R)-1,2-diphenyl-1,2-bis[4-(trifluoromethyl)phenyl]disilinane
SMILESFC(F)(F)c1ccc([Si@@]2(c3ccccc3)CCCC[Si@@]2(c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C30H26F6Si2/c31-29(32,33)23-13-17-27(18-14-23)37(25-9-3-1-4-10-25)21-7-8-22-38(37,26-11-5-2-6-12-26)28-19-15-24(16-20-28)30(34,35)36/h1-6,9-20H,7-8,21-22H2/t37-,38+
InChIKeyPVDWKANABMPPFF-MAZIBIHTSA-N
MW556.70 g/mol
LogP6.42
Rot. Bonds4

About (1S,2R)-1,2-diphenyl-1,2-bis[4-(trifluoromethyl)phenyl]disilinane

(1S,2R)-1,2-diphenyl-1,2-bis[4-(trifluoromethyl)phenyl]disilinane (PubChem CID 102352325) has the molecular formula C30H26F6Si2 and a molecular weight of 556.70 g/mol. Its IUPAC name is (1S,2R)-1,2-diphenyl-1,2-bis[4-(trifluoromethyl)phenyl]disilinane.

Molecular Properties

Compound Name(1S,2R)-1,2-diphenyl-1,2-bis[4-(trifluoromethyl)phenyl]disilinane
PubChem CID102352325
Molecular FormulaC30H26F6Si2
Molecular Weight556.70 g/mol
Exact Mass556.15
IUPAC Name(1S,2R)-1,2-diphenyl-1,2-bis[4-(trifluoromethyl)phenyl]disilinane
SMILESFC(F)(F)c1ccc([Si@@]2(c3ccccc3)CCCC[Si@@]2(c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C30H26F6Si2/c31-29(32,33)23-13-17-27(18-14-23)37(25-9-3-1-4-10-25)21-7-8-22-38(37,26-11-5-2-6-12-26)28-19-15-24(16-20-28)30(34,35)36/h1-6,9-20H,7-8,21-22H2/t37-,38+
InChIKeyPVDWKANABMPPFF-MAZIBIHTSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.70
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
ethane;bis(trifluoromethylbenzene)
CID 142912000
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
CID 154308793
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene
CID 640457
2,4-diphenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane
CID 20654598
CID 101352816
CID 101352816
phenyl-bis[4-(trifluoromethyl)phenyl]sulfanium bromide
CID 86043947
1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene
CID 11473198
ethane;methylcyclopentane;trifluoromethylbenzene
CID 143867816

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1,2-diphenyl-1,2-bis[4-(trifluoromethyl)phenyl]disilinane?
The IUPAC name of (1S,2R)-1,2-diphenyl-1,2-bis[4-(trifluoromethyl)phenyl]disilinane (CID 102352325) is (1S,2R)-1,2-diphenyl-1,2-bis[4-(trifluoromethyl)phenyl]disilinane.
What is the SMILES notation for (1S,2R)-1,2-diphenyl-1,2-bis[4-(trifluoromethyl)phenyl]disilinane?
The canonical SMILES for (1S,2R)-1,2-diphenyl-1,2-bis[4-(trifluoromethyl)phenyl]disilinane is FC(F)(F)c1ccc([Si@@]2(c3ccccc3)CCCC[Si@@]2(c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (1S,2R)-1,2-diphenyl-1,2-bis[4-(trifluoromethyl)phenyl]disilinane?
The InChIKey is PVDWKANABMPPFF-MAZIBIHTSA-N. The full InChI is InChI=1S/C30H26F6Si2/c31-29(32,33)23-13-17-27(18-14-23)37(25-9-3-1-4-10-25)21-7-8-22-38(37,26-11-5-2-6-12-26)28-19-15-24(16-20-28)30(34,35)36/h1-6,9-20H,7-8,21-22H2/t37-,38+.
What are the key properties of (1S,2R)-1,2-diphenyl-1,2-bis[4-(trifluoromethyl)phenyl]disilinane?
(1S,2R)-1,2-diphenyl-1,2-bis[4-(trifluoromethyl)phenyl]disilinane has a molecular weight of 556.70 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1,2-diphenyl-1,2-bis[4-(trifluoromethyl)phenyl]disilinane is sourced from PubChem (CID 102352325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).