azane;iron(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris[2-di(propan-2-yl)phosphanylphenyl]silanide

C68H69BF24FeNP3Si — CID 45253915

IUPACazane;iron(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris[2-di(propan-2-yl)phosphanylphenyl]silanide
SMILESCC(C)P(c1ccccc1[Si-](c1ccccc1P(C(C)C)C(C)C)c1ccccc1P(C(C)C)C(C)C)C(C)C.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.N.[Fe+2]
InChIInChI=1S/C36H54P3Si.C32H12BF24.Fe.H3N/c1-25(2)37(26(3)4)31-19-13-16-22-34(31)40(35-23-17-14-20-32(35)38(27(5)6)28(7)8)36-24-18-15-21-33(36)39(29(9)10)30(11)12;34-25(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;;/h13-30H,1-12H3;1-12H;;1H3/q2*-1;+2;
InChIKeyYEJOAZGLOSXDIK-UHFFFAOYSA-N
MW1543.92 g/mol
LogP19.35
Rot. Bonds16

About azane;iron(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris[2-di(propan-2-yl)phosphanylphenyl]silanide

azane;iron(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris[2-di(propan-2-yl)phosphanylphenyl]silanide (PubChem CID 45253915) has the molecular formula C68H69BF24FeNP3Si and a molecular weight of 1543.92 g/mol. Its IUPAC name is azane;iron(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris[2-di(propan-2-yl)phosphanylphenyl]silanide.

Molecular Properties

Compound Nameazane;iron(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris[2-di(propan-2-yl)phosphanylphenyl]silanide
PubChem CID45253915
Molecular FormulaC68H69BF24FeNP3Si
Molecular Weight1543.92 g/mol
Exact Mass1543.35
IUPAC Nameazane;iron(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris[2-di(propan-2-yl)phosphanylphenyl]silanide
SMILESCC(C)P(c1ccccc1[Si-](c1ccccc1P(C(C)C)C(C)C)c1ccccc1P(C(C)C)C(C)C)C(C)C.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.N.[Fe+2]
InChIInChI=1S/C36H54P3Si.C32H12BF24.Fe.H3N/c1-25(2)37(26(3)4)31-19-13-16-22-34(31)40(35-23-17-14-20-32(35)38(27(5)6)28(7)8)36-24-18-15-21-33(36)39(29(9)10)30(11)12;34-25(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;;/h13-30H,1-12H3;1-12H;;1H3/q2*-1;+2;
InChIKeyYEJOAZGLOSXDIK-UHFFFAOYSA-N
XLogP19.35
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001543.92
LogP ≤ 519.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;iron(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris[2-di(propan-2-yl)phosphanylphenyl]silanide?
The IUPAC name of azane;iron(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris[2-di(propan-2-yl)phosphanylphenyl]silanide (CID 45253915) is azane;iron(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris[2-di(propan-2-yl)phosphanylphenyl]silanide.
What is the SMILES notation for azane;iron(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris[2-di(propan-2-yl)phosphanylphenyl]silanide?
The canonical SMILES for azane;iron(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris[2-di(propan-2-yl)phosphanylphenyl]silanide is CC(C)P(c1ccccc1[Si-](c1ccccc1P(C(C)C)C(C)C)c1ccccc1P(C(C)C)C(C)C)C(C)C.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.N.[Fe+2].
What is the InChIKey of azane;iron(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris[2-di(propan-2-yl)phosphanylphenyl]silanide?
The InChIKey is YEJOAZGLOSXDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H54P3Si.C32H12BF24.Fe.H3N/c1-25(2)37(26(3)4)31-19-13-16-22-34(31)40(35-23-17-14-20-32(35)38(27(5)6)28(7)8)36-24-18-15-21-33(36)39(29(9)10)30(11)12;34-25(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;;/h13-30H,1-12H3;1-12H;;1H3/q2*-1;+2;.
What are the key properties of azane;iron(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris[2-di(propan-2-yl)phosphanylphenyl]silanide?
azane;iron(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris[2-di(propan-2-yl)phosphanylphenyl]silanide has a molecular weight of 1543.92 g/mol, XLogP of 19.35, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;iron(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris[2-di(propan-2-yl)phosphanylphenyl]silanide is sourced from PubChem (CID 45253915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).