silver;bis(1-pyren-1-yl-N-quinolin-8-ylmethanimine);trifluoromethanesulfonate

C53H32AgF3N4O3S — CID 139088167

IUPACsilver;bis(1-pyren-1-yl-N-quinolin-8-ylmethanimine);trifluoromethanesulfonate
SMILESC(=N\c1cccc2cccnc12)\c1ccc2ccc3cccc4ccc1c2c34.C(=N\c1cccc2cccnc12)\c1ccc2ccc3cccc4ccc1c2c34.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/2C26H16N2.CHF3O3S.Ag/c2*1-4-17-9-10-19-11-12-21(22-14-13-18(5-1)24(17)25(19)22)16-28-23-8-2-6-20-7-3-15-27-26(20)23;2-1(3,4)8(5,6)7;/h2*1-16H;(H,5,6,7);/q;;;+1/p-1/b2*28-16-;;
InChIKeyHSHDMBQHFBIRFU-JRXLVLGVSA-M
MW969.79 g/mol
LogP13.81
Rot. Bonds4

About silver;bis(1-pyren-1-yl-N-quinolin-8-ylmethanimine);trifluoromethanesulfonate

silver;bis(1-pyren-1-yl-N-quinolin-8-ylmethanimine);trifluoromethanesulfonate (PubChem CID 139088167) has the molecular formula C53H32AgF3N4O3S and a molecular weight of 969.79 g/mol. Its IUPAC name is silver;bis(1-pyren-1-yl-N-quinolin-8-ylmethanimine);trifluoromethanesulfonate.

Molecular Properties

Compound Namesilver;bis(1-pyren-1-yl-N-quinolin-8-ylmethanimine);trifluoromethanesulfonate
PubChem CID139088167
Molecular FormulaC53H32AgF3N4O3S
Molecular Weight969.79 g/mol
Exact Mass968.12
IUPAC Namesilver;bis(1-pyren-1-yl-N-quinolin-8-ylmethanimine);trifluoromethanesulfonate
SMILESC(=N\c1cccc2cccnc12)\c1ccc2ccc3cccc4ccc1c2c34.C(=N\c1cccc2cccnc12)\c1ccc2ccc3cccc4ccc1c2c34.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/2C26H16N2.CHF3O3S.Ag/c2*1-4-17-9-10-19-11-12-21(22-14-13-18(5-1)24(17)25(19)22)16-28-23-8-2-6-20-7-3-15-27-26(20)23;2-1(3,4)8(5,6)7;/h2*1-16H;(H,5,6,7);/q;;;+1/p-1/b2*28-16-;;
InChIKeyHSHDMBQHFBIRFU-JRXLVLGVSA-M
XLogP13.81
TPSA107.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.79
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

5,7-bis[(E)-2-(1-methylindol-3-yl)vinyl]-8,19-diazoniapentacyclo[13.9.0.02,12.03,8.019,24]tetracosa-1,3(8),4,6,12,14,19(24),20,22-nonaene;trifluoromethanesulfonate
CID 176457025
12,13-dimethyl-7-[(E)-2-(1-methylindol-3-yl)vinyl]-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,12,17(26),18,20(25),21,23-undecaene;trifluoromethanesulfonate
CID 176457164
12,13-dimethyl-7,18-bis[(E)-2-(1-methylindol-2-yl)vinyl]-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene;trifluoromethanesulfonate
CID 176457216
Silver;bis(1,10-phenanthroline);trifluoromethanesulfonate
CID 15843295
ZINC;bis(1,10-phenanthroline);bis(trifluoromethanesulfonate)
CID 139048112
Bis(1,10-phenanthroline)(dicyanamido)copper(II) trifluoromethanesulfonate
CID 139058873
Tris(1,10-phenanthroline-kappa^2^N,N')iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate
CID 139087157
Bis(acetonitrile);4-methyl-2-(trifluoromethyl)-1,10-phenanthroline;palladium(2+);bis(trifluoromethanesulfonate)
CID 139097438
Tris(4,7-dimethyl-1,10-phenanthroline);ruthenium(2+);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139118151
acetonitrile;manganese(2+);3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine;bis(trifluoromethanesulfonate)
CID 139124245
[Cr(phen)3](OTf)2
CID 139137425
Bis(2,9-bis(2,4,6-trimethylphenyl)-1,10-phenanthroline);bis(copper(1+));bis(dichloromethane);4-(2-pyridin-4-ylethynyl)pyridine;bis(trifluoromethanesulfonate)
CID 139137867

Frequently Asked Questions

What is the IUPAC name of silver;bis(1-pyren-1-yl-N-quinolin-8-ylmethanimine);trifluoromethanesulfonate?
The IUPAC name of silver;bis(1-pyren-1-yl-N-quinolin-8-ylmethanimine);trifluoromethanesulfonate (CID 139088167) is silver;bis(1-pyren-1-yl-N-quinolin-8-ylmethanimine);trifluoromethanesulfonate.
What is the SMILES notation for silver;bis(1-pyren-1-yl-N-quinolin-8-ylmethanimine);trifluoromethanesulfonate?
The canonical SMILES for silver;bis(1-pyren-1-yl-N-quinolin-8-ylmethanimine);trifluoromethanesulfonate is C(=N\c1cccc2cccnc12)\c1ccc2ccc3cccc4ccc1c2c34.C(=N\c1cccc2cccnc12)\c1ccc2ccc3cccc4ccc1c2c34.O=S(=O)([O-])C(F)(F)F.[Ag+].
What is the InChIKey of silver;bis(1-pyren-1-yl-N-quinolin-8-ylmethanimine);trifluoromethanesulfonate?
The InChIKey is HSHDMBQHFBIRFU-JRXLVLGVSA-M. The full InChI is InChI=1S/2C26H16N2.CHF3O3S.Ag/c2*1-4-17-9-10-19-11-12-21(22-14-13-18(5-1)24(17)25(19)22)16-28-23-8-2-6-20-7-3-15-27-26(20)23;2-1(3,4)8(5,6)7;/h2*1-16H;(H,5,6,7);/q;;;+1/p-1/b2*28-16-;;.
What are the key properties of silver;bis(1-pyren-1-yl-N-quinolin-8-ylmethanimine);trifluoromethanesulfonate?
silver;bis(1-pyren-1-yl-N-quinolin-8-ylmethanimine);trifluoromethanesulfonate has a molecular weight of 969.79 g/mol, XLogP of 13.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for silver;bis(1-pyren-1-yl-N-quinolin-8-ylmethanimine);trifluoromethanesulfonate is sourced from PubChem (CID 139088167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).