CID 160712267

C135H152Cl2Cu6F2LiN22Si2+9 — CID 160712267

IUPAC—
SMILESC.C.C.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cl[Cu]Cl.F[SiH3].[3H-].[3H]F.[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Li+].[SiH3-]
InChIInChI=1S/11C12H12N2.3CH4.2ClH.6Cu.FH3Si.FH.Li.H3Si.H/c11*1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;;;;;;;;;;;;1-2;;;;/h11*3-8H,1-2H3;3*1H4;2*1H;;;;;;;2H3;1H;;1H3;/q;;;;;;;;;;;;;;;;6*+2;;;+1;2*-1/p-2/i;;;;;;;;;;;;;;;;;;;;;;;;;;1+2/hT
InChIKeyHBEPXPHGROKNDQ-VOASWPJWSA-L
MW2640.16 g/mol
LogP28.96
Rot. Bonds11

About CID 160712267

CID 160712267 (PubChem CID 160712267) has the molecular formula C135H152Cl2Cu6F2LiN22Si2+9 and a molecular weight of 2640.16 g/mol.

Molecular Properties

Compound NameCID 160712267
PubChem CID160712267
Molecular FormulaC135H152Cl2Cu6F2LiN22Si2+9
Molecular Weight2640.16 g/mol
Exact Mass2633.75
IUPAC Name—
SMILESC.C.C.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cl[Cu]Cl.F[SiH3].[3H-].[3H]F.[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Li+].[SiH3-]
InChIInChI=1S/11C12H12N2.3CH4.2ClH.6Cu.FH3Si.FH.Li.H3Si.H/c11*1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;;;;;;;;;;;;1-2;;;;/h11*3-8H,1-2H3;3*1H4;2*1H;;;;;;;2H3;1H;;1H3;/q;;;;;;;;;;;;;;;;6*+2;;;+1;2*-1/p-2/i;;;;;;;;;;;;;;;;;;;;;;;;;;1+2/hT
InChIKeyHBEPXPHGROKNDQ-VOASWPJWSA-L
XLogP28.96
TPSA283.58 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds11
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002640.16
LogP ≤ 528.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 160712267?
The IUPAC name of CID 160712267 (CID 160712267) is not available.
What is the SMILES notation for CID 160712267?
The canonical SMILES for CID 160712267 is C.C.C.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.Cl[Cu]Cl.F[SiH3].[3H-].[3H]F.[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Li+].[SiH3-].
What is the InChIKey of CID 160712267?
The InChIKey is HBEPXPHGROKNDQ-VOASWPJWSA-L. The full InChI is InChI=1S/11C12H12N2.3CH4.2ClH.6Cu.FH3Si.FH.Li.H3Si.H/c11*1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;;;;;;;;;;;;1-2;;;;/h11*3-8H,1-2H3;3*1H4;2*1H;;;;;;;2H3;1H;;1H3;/q;;;;;;;;;;;;;;;;6*+2;;;+1;2*-1/p-2/i;;;;;;;;;;;;;;;;;;;;;;;;;;1+2/hT.
What are the key properties of CID 160712267?
CID 160712267 has a molecular weight of 2640.16 g/mol, XLogP of 28.96, 11 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160712267 is sourced from PubChem (CID 160712267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).