tetrakis(gold(3+));1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)pyridine;heptacyanide

C57H35Au4F6N11S2 — CID 162193986

IUPACtetrakis(gold(3+));1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)pyridine;heptacyanide
SMILESCc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1c[c-]c(-c2ccccn2)s1.[Au+3].[Au+3].[Au+3].[Au+3].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
InChIInChI=1S/2C11H8N.C10H8NS.C9H5F6.C9H6NS.7CN.4Au/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8-5-6-10(12-8)9-4-2-3-7-11-9;1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;1-2-6-10-8(4-1)9-5-3-7-11-9;7*1-2;;;;/h2*1-6,8-9H;2-5,7H,1H3;2,4H,1H3;1-4,6-7H;;;;;;;;;;;/q12*-1;4*+3
InChIKeyHIATWLNWBMEHMS-UHFFFAOYSA-N
MW1839.97 g/mol
LogP15.12
Rot. Bonds4

About tetrakis(gold(3+));1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)pyridine;heptacyanide

tetrakis(gold(3+));1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)pyridine;heptacyanide (PubChem CID 162193986) has the molecular formula C57H35Au4F6N11S2 and a molecular weight of 1839.97 g/mol. Its IUPAC name is tetrakis(gold(3+));1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)pyridine;heptacyanide.

Molecular Properties

Compound Nametetrakis(gold(3+));1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)pyridine;heptacyanide
PubChem CID162193986
Molecular FormulaC57H35Au4F6N11S2
Molecular Weight1839.97 g/mol
Exact Mass1839.11
IUPAC Nametetrakis(gold(3+));1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)pyridine;heptacyanide
SMILESCc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1c[c-]c(-c2ccccn2)s1.[Au+3].[Au+3].[Au+3].[Au+3].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
InChIInChI=1S/2C11H8N.C10H8NS.C9H5F6.C9H6NS.7CN.4Au/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8-5-6-10(12-8)9-4-2-3-7-11-9;1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;1-2-6-10-8(4-1)9-5-3-7-11-9;7*1-2;;;;/h2*1-6,8-9H;2-5,7H,1H3;2,4H,1H3;1-4,6-7H;;;;;;;;;;;/q12*-1;4*+3
InChIKeyHIATWLNWBMEHMS-UHFFFAOYSA-N
XLogP15.12
TPSA218.09 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds4
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001839.97
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(gold(3+));1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)pyridine;heptacyanide?
The IUPAC name of tetrakis(gold(3+));1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)pyridine;heptacyanide (CID 162193986) is tetrakis(gold(3+));1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)pyridine;heptacyanide.
What is the SMILES notation for tetrakis(gold(3+));1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)pyridine;heptacyanide?
The canonical SMILES for tetrakis(gold(3+));1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)pyridine;heptacyanide is Cc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1c[c-]c(-c2ccccn2)s1.[Au+3].[Au+3].[Au+3].[Au+3].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.
What is the InChIKey of tetrakis(gold(3+));1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)pyridine;heptacyanide?
The InChIKey is HIATWLNWBMEHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8N.C10H8NS.C9H5F6.C9H6NS.7CN.4Au/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8-5-6-10(12-8)9-4-2-3-7-11-9;1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;1-2-6-10-8(4-1)9-5-3-7-11-9;7*1-2;;;;/h2*1-6,8-9H;2-5,7H,1H3;2,4H,1H3;1-4,6-7H;;;;;;;;;;;/q12*-1;4*+3.
What are the key properties of tetrakis(gold(3+));1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)pyridine;heptacyanide?
tetrakis(gold(3+));1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)pyridine;heptacyanide has a molecular weight of 1839.97 g/mol, XLogP of 15.12, 4 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(gold(3+));1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-(5-methyl-3H-thiophen-3-id-2-yl)pyridine;bis(2-phenylpyridine);2-(3H-thiophen-3-id-2-yl)pyridine;heptacyanide is sourced from PubChem (CID 162193986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).