hexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide)

C140H116Ag6Cl6N12 — CID 139160547

IUPAChexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide)
SMILESC1CCCCC1.C1CCCCC1.ClC(Cl)Cl.ClC(Cl)Cl.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(-c2n[n-]c(-c3ccccc3)c2Cc2ccc3ccc(Cc4c(-c5ccccc5)n[n-]c4-c4ccccc4)cc3c2)cc1.c1ccc(-c2n[n-]c(-c3ccccc3)c2Cc2ccc3ccc(Cc4c(-c5ccccc5)n[n-]c4-c4ccccc4)cc3c2)cc1.c1ccc(-c2n[n-]c(-c3ccccc3)c2Cc2ccc3ccc(Cc4c(-c5ccccc5)n[n-]c4-c4ccccc4)cc3c2)cc1
InChIInChI=1S/3C42H30N4.2C6H12.2CHCl3.6Ag/c3*1-5-13-32(14-6-1)39-37(40(44-43-39)33-15-7-2-8-16-33)27-29-21-23-31-24-22-30(26-36(31)25-29)28-38-41(34-17-9-3-10-18-34)45-46-42(38)35-19-11-4-12-20-35;2*1-2-4-6-5-3-1;2*2-1(3)4;;;;;;/h3*1-26H,27-28H2;2*1-6H2;2*1H;;;;;;/q3*-2;;;;;6*+1
InChIKeyOPBVPPOIQAEIRH-UHFFFAOYSA-N
MW2826.48 g/mol
LogP36.82
Rot. Bonds24

About hexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide)

hexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide) (PubChem CID 139160547) has the molecular formula C140H116Ag6Cl6N12 and a molecular weight of 2826.48 g/mol. Its IUPAC name is hexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide).

Molecular Properties

Compound Namehexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide)
PubChem CID139160547
Molecular FormulaC140H116Ag6Cl6N12
Molecular Weight2826.48 g/mol
Exact Mass2816.19
IUPAC Namehexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide)
SMILESC1CCCCC1.C1CCCCC1.ClC(Cl)Cl.ClC(Cl)Cl.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(-c2n[n-]c(-c3ccccc3)c2Cc2ccc3ccc(Cc4c(-c5ccccc5)n[n-]c4-c4ccccc4)cc3c2)cc1.c1ccc(-c2n[n-]c(-c3ccccc3)c2Cc2ccc3ccc(Cc4c(-c5ccccc5)n[n-]c4-c4ccccc4)cc3c2)cc1.c1ccc(-c2n[n-]c(-c3ccccc3)c2Cc2ccc3ccc(Cc4c(-c5ccccc5)n[n-]c4-c4ccccc4)cc3c2)cc1
InChIInChI=1S/3C42H30N4.2C6H12.2CHCl3.6Ag/c3*1-5-13-32(14-6-1)39-37(40(44-43-39)33-15-7-2-8-16-33)27-29-21-23-31-24-22-30(26-36(31)25-29)28-38-41(34-17-9-3-10-18-34)45-46-42(38)35-19-11-4-12-20-35;2*1-2-4-6-5-3-1;2*2-1(3)4;;;;;;/h3*1-26H,27-28H2;2*1-6H2;2*1H;;;;;;/q3*-2;;;;;6*+1
InChIKeyOPBVPPOIQAEIRH-UHFFFAOYSA-N
XLogP36.82
TPSA161.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002826.48
LogP ≤ 536.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze hexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide) with MolForge

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Related Compounds

Dodecasilver;heptakis(3-methyl-5-phenylpyrazol-1-ide);pentakis(5-methyl-3-phenylpyrazol-1-ide)
CID 139146360
Hexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane
CID 139146361
Hexakis(copper(1+));tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide)
CID 139160546
Trisilver;tris(4-chloro-3,5-diphenylpyrazol-1-ide);bis(dichloromethane)
CID 139164974
Hexasilver;hexakis(3,5-dimethyl-4-[[4-(1,2,2-triphenylethenyl)phenyl]methyl]pyrazol-1-ide)
CID 139174014
Hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)
CID 139198410
3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole
CID 147807635

Frequently Asked Questions

What is the IUPAC name of hexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide)?
The IUPAC name of hexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide) (CID 139160547) is hexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide).
What is the SMILES notation for hexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide)?
The canonical SMILES for hexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide) is C1CCCCC1.C1CCCCC1.ClC(Cl)Cl.ClC(Cl)Cl.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(-c2n[n-]c(-c3ccccc3)c2Cc2ccc3ccc(Cc4c(-c5ccccc5)n[n-]c4-c4ccccc4)cc3c2)cc1.c1ccc(-c2n[n-]c(-c3ccccc3)c2Cc2ccc3ccc(Cc4c(-c5ccccc5)n[n-]c4-c4ccccc4)cc3c2)cc1.c1ccc(-c2n[n-]c(-c3ccccc3)c2Cc2ccc3ccc(Cc4c(-c5ccccc5)n[n-]c4-c4ccccc4)cc3c2)cc1.
What is the InChIKey of hexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide)?
The InChIKey is OPBVPPOIQAEIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C42H30N4.2C6H12.2CHCl3.6Ag/c3*1-5-13-32(14-6-1)39-37(40(44-43-39)33-15-7-2-8-16-33)27-29-21-23-31-24-22-30(26-36(31)25-29)28-38-41(34-17-9-3-10-18-34)45-46-42(38)35-19-11-4-12-20-35;2*1-2-4-6-5-3-1;2*2-1(3)4;;;;;;/h3*1-26H,27-28H2;2*1-6H2;2*1H;;;;;;/q3*-2;;;;;6*+1.
What are the key properties of hexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide)?
hexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide) has a molecular weight of 2826.48 g/mol, XLogP of 36.82, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide) is sourced from PubChem (CID 139160547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).