tris[3,5-bis(trifluoromethyl)phenyl]-[tris[3,5-bis(trifluoromethyl)phenyl]phosphaniumylmethyl]phosphanium

C49H20F36P2+2 — CID 132541300

IUPACtris[3,5-bis(trifluoromethyl)phenyl]-[tris[3,5-bis(trifluoromethyl)phenyl]phosphaniumylmethyl]phosphanium
SMILESFC(F)(F)c1cc(C(F)(F)F)cc([P+](C[P+](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C49H20F36P2/c50-38(51,52)20-1-21(39(53,54)55)8-32(7-20)86(33-9-22(40(56,57)58)2-23(10-33)41(59,60)61,34-11-24(42(62,63)64)3-25(12-34)43(65,66)67)19-87(35-13-26(44(68,69)70)4-27(14-35)45(71,72)73,36-15-28(46(74,75)76)5-29(16-36)47(77,78)79)37-17-30(48(80,81)82)6-31(18-37)49(83,84)85/h1-18H,19H2/q+2
InChIKeyNRIARERLSQEEMM-UHFFFAOYSA-N
MW1354.57 g/mol
LogP19.16
Rot. Bonds8

About tris[3,5-bis(trifluoromethyl)phenyl]-[tris[3,5-bis(trifluoromethyl)phenyl]phosphaniumylmethyl]phosphanium

tris[3,5-bis(trifluoromethyl)phenyl]-[tris[3,5-bis(trifluoromethyl)phenyl]phosphaniumylmethyl]phosphanium (PubChem CID 132541300) has the molecular formula C49H20F36P2+2 and a molecular weight of 1354.57 g/mol. Its IUPAC name is tris[3,5-bis(trifluoromethyl)phenyl]-[tris[3,5-bis(trifluoromethyl)phenyl]phosphaniumylmethyl]phosphanium.

Molecular Properties

Compound Nametris[3,5-bis(trifluoromethyl)phenyl]-[tris[3,5-bis(trifluoromethyl)phenyl]phosphaniumylmethyl]phosphanium
PubChem CID132541300
Molecular FormulaC49H20F36P2+2
Molecular Weight1354.57 g/mol
Exact Mass1354.05
IUPAC Nametris[3,5-bis(trifluoromethyl)phenyl]-[tris[3,5-bis(trifluoromethyl)phenyl]phosphaniumylmethyl]phosphanium
SMILESFC(F)(F)c1cc(C(F)(F)F)cc([P+](C[P+](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C49H20F36P2/c50-38(51,52)20-1-21(39(53,54)55)8-32(7-20)86(33-9-22(40(56,57)58)2-23(10-33)41(59,60)61,34-11-24(42(62,63)64)3-25(12-34)43(65,66)67)19-87(35-13-26(44(68,69)70)4-27(14-35)45(71,72)73,36-15-28(46(74,75)76)5-29(16-36)47(77,78)79)37-17-30(48(80,81)82)6-31(18-37)49(83,84)85/h1-18H,19H2/q+2
InChIKeyNRIARERLSQEEMM-UHFFFAOYSA-N
XLogP19.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001354.57
LogP ≤ 519.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 139245768
O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine
CID 88700648
(1R,2R)-1,2-bis[3,5-bis(trifluoromethyl)phenyl]ethane-1,2-diol
CID 101179006
CID 87457276
CID 87457276
CID 10890130
CID 10890130
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
1-(2-azidoethyl)-3,5-bis(trifluoromethyl)benzene
CID 71419492
1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene;hydrobromide
CID 162568084
formyl chloride;1,3,5-tris(trifluoromethyl)benzene
CID 174890856
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
tris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+)
CID 161274801
lithium [3,5-bis(trifluoromethyl)phenyl]azanide
CID 132500492

Frequently Asked Questions

What is the IUPAC name of tris[3,5-bis(trifluoromethyl)phenyl]-[tris[3,5-bis(trifluoromethyl)phenyl]phosphaniumylmethyl]phosphanium?
The IUPAC name of tris[3,5-bis(trifluoromethyl)phenyl]-[tris[3,5-bis(trifluoromethyl)phenyl]phosphaniumylmethyl]phosphanium (CID 132541300) is tris[3,5-bis(trifluoromethyl)phenyl]-[tris[3,5-bis(trifluoromethyl)phenyl]phosphaniumylmethyl]phosphanium.
What is the SMILES notation for tris[3,5-bis(trifluoromethyl)phenyl]-[tris[3,5-bis(trifluoromethyl)phenyl]phosphaniumylmethyl]phosphanium?
The canonical SMILES for tris[3,5-bis(trifluoromethyl)phenyl]-[tris[3,5-bis(trifluoromethyl)phenyl]phosphaniumylmethyl]phosphanium is FC(F)(F)c1cc(C(F)(F)F)cc([P+](C[P+](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of tris[3,5-bis(trifluoromethyl)phenyl]-[tris[3,5-bis(trifluoromethyl)phenyl]phosphaniumylmethyl]phosphanium?
The InChIKey is NRIARERLSQEEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H20F36P2/c50-38(51,52)20-1-21(39(53,54)55)8-32(7-20)86(33-9-22(40(56,57)58)2-23(10-33)41(59,60)61,34-11-24(42(62,63)64)3-25(12-34)43(65,66)67)19-87(35-13-26(44(68,69)70)4-27(14-35)45(71,72)73,36-15-28(46(74,75)76)5-29(16-36)47(77,78)79)37-17-30(48(80,81)82)6-31(18-37)49(83,84)85/h1-18H,19H2/q+2.
What are the key properties of tris[3,5-bis(trifluoromethyl)phenyl]-[tris[3,5-bis(trifluoromethyl)phenyl]phosphaniumylmethyl]phosphanium?
tris[3,5-bis(trifluoromethyl)phenyl]-[tris[3,5-bis(trifluoromethyl)phenyl]phosphaniumylmethyl]phosphanium has a molecular weight of 1354.57 g/mol, XLogP of 19.16, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[3,5-bis(trifluoromethyl)phenyl]-[tris[3,5-bis(trifluoromethyl)phenyl]phosphaniumylmethyl]phosphanium is sourced from PubChem (CID 132541300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).