diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

C51H27BF24 — CID 11147536

IUPACdiphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
SMILESFC(F)(F)c1cc([B-](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)cc(C(F)(F)F)c1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H12BF24.C19H15/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-12H;1-15H/q-1;+1
InChIKeyMPPSMYQBBXPQSF-UHFFFAOYSA-N
MW1106.54 g/mol
LogP15.92
Rot. Bonds7

About diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide (PubChem CID 11147536) has the molecular formula C51H27BF24 and a molecular weight of 1106.54 g/mol. Its IUPAC name is diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide.

Molecular Properties

Compound Namediphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
PubChem CID11147536
Molecular FormulaC51H27BF24
Molecular Weight1106.54 g/mol
Exact Mass1106.18
IUPAC Namediphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
SMILESFC(F)(F)c1cc([B-](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)cc(C(F)(F)F)c1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H12BF24.C19H15/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-12H;1-15H/q-1;+1
InChIKeyMPPSMYQBBXPQSF-UHFFFAOYSA-N
XLogP15.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001106.54
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The IUPAC name of diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide (CID 11147536) is diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide.
What is the SMILES notation for diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The canonical SMILES for diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide is FC(F)(F)c1cc([B-](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)cc(C(F)(F)F)c1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The InChIKey is MPPSMYQBBXPQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H12BF24.C19H15/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-12H;1-15H/q-1;+1.
What are the key properties of diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide has a molecular weight of 1106.54 g/mol, XLogP of 15.92, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide is sourced from PubChem (CID 11147536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).