tetrasilver;bis(tert-butyl-[3-[tert-butyl-di(pyrazol-1-yl)boranuidyl]phenyl]-di(pyrazol-1-yl)boranuide);tetrakis(triphenylphosphane)

C124H128Ag4B4N16P4 — CID 139096401

IUPACtetrasilver;bis(tert-butyl-[3-[tert-butyl-di(pyrazol-1-yl)boranuidyl]phenyl]-di(pyrazol-1-yl)boranuide);tetrakis(triphenylphosphane)
SMILESCC(C)(C)[B-](c1cccc([B-](n2cccn2)(n2cccn2)C(C)(C)C)c1)(n1cccn1)n1cccn1.CC(C)(C)[B-](c1cccc([B-](n2cccn2)(n2cccn2)C(C)(C)C)c1)(n1cccn1)n1cccn1.[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C26H34B2N8.4C18H15P.4Ag/c2*1-25(2,3)27(33-18-8-14-29-33,34-19-9-15-30-34)23-12-7-13-24(22-23)28(26(4,5)6,35-20-10-16-31-35)36-21-11-17-32-36;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h2*7-22H,1-6H3;4*1-15H;;;;/q2*-2;;;;;4*+1
InChIKeyBKCBVFPKFGLEBH-UHFFFAOYSA-N
MW2441.12 g/mol
LogP20.90
Rot. Bonds24

About tetrasilver;bis(tert-butyl-[3-[tert-butyl-di(pyrazol-1-yl)boranuidyl]phenyl]-di(pyrazol-1-yl)boranuide);tetrakis(triphenylphosphane)

tetrasilver;bis(tert-butyl-[3-[tert-butyl-di(pyrazol-1-yl)boranuidyl]phenyl]-di(pyrazol-1-yl)boranuide);tetrakis(triphenylphosphane) (PubChem CID 139096401) has the molecular formula C124H128Ag4B4N16P4 and a molecular weight of 2441.12 g/mol. Its IUPAC name is tetrasilver;bis(tert-butyl-[3-[tert-butyl-di(pyrazol-1-yl)boranuidyl]phenyl]-di(pyrazol-1-yl)boranuide);tetrakis(triphenylphosphane).

Molecular Properties

Compound Nametetrasilver;bis(tert-butyl-[3-[tert-butyl-di(pyrazol-1-yl)boranuidyl]phenyl]-di(pyrazol-1-yl)boranuide);tetrakis(triphenylphosphane)
PubChem CID139096401
Molecular FormulaC124H128Ag4B4N16P4
Molecular Weight2441.12 g/mol
Exact Mass2436.60
IUPAC Nametetrasilver;bis(tert-butyl-[3-[tert-butyl-di(pyrazol-1-yl)boranuidyl]phenyl]-di(pyrazol-1-yl)boranuide);tetrakis(triphenylphosphane)
SMILESCC(C)(C)[B-](c1cccc([B-](n2cccn2)(n2cccn2)C(C)(C)C)c1)(n1cccn1)n1cccn1.CC(C)(C)[B-](c1cccc([B-](n2cccn2)(n2cccn2)C(C)(C)C)c1)(n1cccn1)n1cccn1.[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C26H34B2N8.4C18H15P.4Ag/c2*1-25(2,3)27(33-18-8-14-29-33,34-19-9-15-30-34)23-12-7-13-24(22-23)28(26(4,5)6,35-20-10-16-31-35)36-21-11-17-32-36;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h2*7-22H,1-6H3;4*1-15H;;;;/q2*-2;;;;;4*+1
InChIKeyBKCBVFPKFGLEBH-UHFFFAOYSA-N
XLogP20.90
TPSA142.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002441.12
LogP ≤ 520.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

(1R,7R,13R,19R)-1,7,13,19-tetratert-butyl-12,24,29,35-tetraza-8,20,25,31-tetrazonia-1,7,13,19-tetraboranuidanonacyclo[17.5.5.57,13.12,6.114,18.08,12.020,24.025,29.031,35]hexatriaconta-2(36),3,5,8,10,14,16,18(30),20,22,25,27,31,33-tetradecaene
CID 139103330
Bis((4-iodophenyl)-tri(pyrazol-1-yl)boranuide);iron(2+)
CID 139126216
benzene;bis(N-oxonitrous amide);tetrakis(pyrazol-1-ide);tetrakis(ruthenium(2+));tetrakis(tri(pyrazol-1-yl)boranuide)
CID 139172653
Azido(benzonitrile-kappaN)[hydridotris(pyrazol-1-yl-kappaN^2^)borato](triphenylphosphine-kappaP)ruthenium(II)
CID 168309854
Difluoro-di(pyrazol-1-yl)boranuide;ruthenium(2+);triphenylphosphanium;tri(pyrazol-1-yl)boranuide
CID 168332108
Disilver;bis(triphenylphosphanium);bis(tri(pyrazol-1-yl)boranuide)
CID 168337491
Benzene;titanium(2+);bis(tri(pyrazol-1-yl)boranuide)
CID 168351534
2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;tetrakis(iridium);phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide
CID 158455034
2-dimethylphosphanylethyl(dimethyl)phosphane;(2-dimethylphosphanylphenyl)-dimethylphosphane;diphenyl-(4H-pyrazol-1-ium-1-yl)-pyrazol-1-ylboranuide;ethane;phenyl-(4H-pyrazol-1-ium-1-yl)-di(pyrazol-1-yl)boranuide;4H-pyrazol-1-ium-1-yl-tri(pyrazol-1-yl)boranuide
CID 159437073

Frequently Asked Questions

What is the IUPAC name of tetrasilver;bis(tert-butyl-[3-[tert-butyl-di(pyrazol-1-yl)boranuidyl]phenyl]-di(pyrazol-1-yl)boranuide);tetrakis(triphenylphosphane)?
The IUPAC name of tetrasilver;bis(tert-butyl-[3-[tert-butyl-di(pyrazol-1-yl)boranuidyl]phenyl]-di(pyrazol-1-yl)boranuide);tetrakis(triphenylphosphane) (CID 139096401) is tetrasilver;bis(tert-butyl-[3-[tert-butyl-di(pyrazol-1-yl)boranuidyl]phenyl]-di(pyrazol-1-yl)boranuide);tetrakis(triphenylphosphane).
What is the SMILES notation for tetrasilver;bis(tert-butyl-[3-[tert-butyl-di(pyrazol-1-yl)boranuidyl]phenyl]-di(pyrazol-1-yl)boranuide);tetrakis(triphenylphosphane)?
The canonical SMILES for tetrasilver;bis(tert-butyl-[3-[tert-butyl-di(pyrazol-1-yl)boranuidyl]phenyl]-di(pyrazol-1-yl)boranuide);tetrakis(triphenylphosphane) is CC(C)(C)[B-](c1cccc([B-](n2cccn2)(n2cccn2)C(C)(C)C)c1)(n1cccn1)n1cccn1.CC(C)(C)[B-](c1cccc([B-](n2cccn2)(n2cccn2)C(C)(C)C)c1)(n1cccn1)n1cccn1.[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetrasilver;bis(tert-butyl-[3-[tert-butyl-di(pyrazol-1-yl)boranuidyl]phenyl]-di(pyrazol-1-yl)boranuide);tetrakis(triphenylphosphane)?
The InChIKey is BKCBVFPKFGLEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H34B2N8.4C18H15P.4Ag/c2*1-25(2,3)27(33-18-8-14-29-33,34-19-9-15-30-34)23-12-7-13-24(22-23)28(26(4,5)6,35-20-10-16-31-35)36-21-11-17-32-36;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h2*7-22H,1-6H3;4*1-15H;;;;/q2*-2;;;;;4*+1.
What are the key properties of tetrasilver;bis(tert-butyl-[3-[tert-butyl-di(pyrazol-1-yl)boranuidyl]phenyl]-di(pyrazol-1-yl)boranuide);tetrakis(triphenylphosphane)?
tetrasilver;bis(tert-butyl-[3-[tert-butyl-di(pyrazol-1-yl)boranuidyl]phenyl]-di(pyrazol-1-yl)boranuide);tetrakis(triphenylphosphane) has a molecular weight of 2441.12 g/mol, XLogP of 20.90, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasilver;bis(tert-butyl-[3-[tert-butyl-di(pyrazol-1-yl)boranuidyl]phenyl]-di(pyrazol-1-yl)boranuide);tetrakis(triphenylphosphane) is sourced from PubChem (CID 139096401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).