silver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

C72H70AgBF24N4 — CID 139174830

IUPACsilver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.CC#N.CCCCC.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.[Ag+]
InChIInChI=1S/C33H43N3.C32H12BF24.C5H12.C2H3N.Ag/c1-20(2)26-14-11-15-27(21(3)4)32(26)34-24(9)30-18-13-19-31(36-30)25(10)35-33-28(22(5)6)16-12-17-29(33)23(7)8;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;1-3-5-4-2;1-2-3;/h11-23H,1-10H3;1-12H;3-5H2,1-2H3;1H3;/q;-1;;;+1/b34-24+,35-25+;;;;
InChIKeyXQNZPQBSUXZOQR-VRCYMSAESA-N
MW1566.01 g/mol
LogP23.79
Rot. Bonds14

About silver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

silver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide (PubChem CID 139174830) has the molecular formula C72H70AgBF24N4 and a molecular weight of 1566.01 g/mol. Its IUPAC name is silver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide.

Molecular Properties

Compound Namesilver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
PubChem CID139174830
Molecular FormulaC72H70AgBF24N4
Molecular Weight1566.01 g/mol
Exact Mass1564.44
IUPAC Namesilver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.CC#N.CCCCC.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.[Ag+]
InChIInChI=1S/C33H43N3.C32H12BF24.C5H12.C2H3N.Ag/c1-20(2)26-14-11-15-27(21(3)4)32(26)34-24(9)30-18-13-19-31(36-30)25(10)35-33-28(22(5)6)16-12-17-29(33)23(7)8;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;1-3-5-4-2;1-2-3;/h11-23H,1-10H3;1-12H;3-5H2,1-2H3;1H3;/q;-1;;;+1/b34-24+,35-25+;;;;
InChIKeyXQNZPQBSUXZOQR-VRCYMSAESA-N
XLogP23.79
TPSA61.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001566.01
LogP ≤ 523.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze silver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide with MolForge

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Related Compounds

2,6-Bis[1-(2,6-DI-I-propylphenylimino)ethyl]pyridine
CID 10930103
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;rhodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 11434856
N-[3-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[3-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 139105220
bis([diphenyl-[4-(trifluoromethyl)phenyl]silyl]azanide);bis(N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);bis(iridium)
CID 139121912
CID 139137964
CID 139137964
silver;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trifluoromethanesulfonate
CID 139174829
acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;rhodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139174833
4,12-Dibenzhydryl-2,2-difluoro-8-(2,4,6-trimethylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
CID 139188917
(I.5-pentamethylcyclopentadienyl)(benzo[h]quinone)(acetonitrile)iridium(III) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
CID 162678644
iPrPhLCu(MeCN)
CID 168301408
Bis(phosphaethenyl)pyridine copper(I)
CID 168348385
Core-modified isosmaragdyrin
CID 168351753

Frequently Asked Questions

What is the IUPAC name of silver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The IUPAC name of silver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide (CID 139174830) is silver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide.
What is the SMILES notation for silver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The canonical SMILES for silver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide is C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.CC#N.CCCCC.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.[Ag+].
What is the InChIKey of silver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The InChIKey is XQNZPQBSUXZOQR-VRCYMSAESA-N. The full InChI is InChI=1S/C33H43N3.C32H12BF24.C5H12.C2H3N.Ag/c1-20(2)26-14-11-15-27(21(3)4)32(26)34-24(9)30-18-13-19-31(36-30)25(10)35-33-28(22(5)6)16-12-17-29(33)23(7)8;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;1-3-5-4-2;1-2-3;/h11-23H,1-10H3;1-12H;3-5H2,1-2H3;1H3;/q;-1;;;+1/b34-24+,35-25+;;;;.
What are the key properties of silver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
silver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide has a molecular weight of 1566.01 g/mol, XLogP of 23.79, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide is sourced from PubChem (CID 139174830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).