tetrazinc;bis(2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(dichloromethane);tetrakis(diphenyl(pyridin-3-yl)phosphane)

C202H232Cl4N12O8P4Zn4 — CID 139151730

IUPACtetrazinc;bis(2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(dichloromethane);tetrakis(diphenyl(pyridin-3-yl)phosphane)
SMILESCC(C)(C)c1cc(/C=N/c2cc(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3[O-])c(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3[O-])cc2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/c2cc(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3[O-])c(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3[O-])cc2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.ClCCl.ClCCl.[Zn+2].[Zn+2].[Zn+2].[Zn+2].c1ccc(P(c2ccccc2)c2cccnc2)cc1.c1ccc(P(c2ccccc2)c2cccnc2)cc1.c1ccc(P(c2ccccc2)c2cccnc2)cc1.c1ccc(P(c2ccccc2)c2cccnc2)cc1
InChIInChI=1S/2C66H90N4O4.4C17H14NP.2CH2Cl2.4Zn/c2*1-59(2,3)43-25-39(55(71)47(29-43)63(13,14)15)35-67-51-33-53(69-37-41-27-45(61(7,8)9)31-49(57(41)73)65(19,20)21)54(70-38-42-28-46(62(10,11)12)32-50(58(42)74)66(22,23)24)34-52(51)68-36-40-26-44(60(4,5)6)30-48(56(40)72)64(16,17)18;4*1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)17-12-7-13-18-14-17;2*2-1-3;;;;/h2*25-38,71-74H,1-24H3;4*1-14H;2*1H2;;;;/q;;;;;;;;4*+2/p-8/b2*67-35+,68-36+,69-37+,70-38+;;;;;;;;;;
InChIKeyWBJSQIBUDJUQLB-FFDGNIHMSA-F
MW3483.42 g/mol
LogP44.92
Rot. Bonds28

About tetrazinc;bis(2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(dichloromethane);tetrakis(diphenyl(pyridin-3-yl)phosphane)

tetrazinc;bis(2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(dichloromethane);tetrakis(diphenyl(pyridin-3-yl)phosphane) (PubChem CID 139151730) has the molecular formula C202H232Cl4N12O8P4Zn4 and a molecular weight of 3483.42 g/mol. Its IUPAC name is tetrazinc;bis(2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(dichloromethane);tetrakis(diphenyl(pyridin-3-yl)phosphane).

Molecular Properties

Compound Nametetrazinc;bis(2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(dichloromethane);tetrakis(diphenyl(pyridin-3-yl)phosphane)
PubChem CID139151730
Molecular FormulaC202H232Cl4N12O8P4Zn4
Molecular Weight3483.42 g/mol
Exact Mass3473.30
IUPAC Nametetrazinc;bis(2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(dichloromethane);tetrakis(diphenyl(pyridin-3-yl)phosphane)
SMILESCC(C)(C)c1cc(/C=N/c2cc(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3[O-])c(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3[O-])cc2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/c2cc(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3[O-])c(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3[O-])cc2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.ClCCl.ClCCl.[Zn+2].[Zn+2].[Zn+2].[Zn+2].c1ccc(P(c2ccccc2)c2cccnc2)cc1.c1ccc(P(c2ccccc2)c2cccnc2)cc1.c1ccc(P(c2ccccc2)c2cccnc2)cc1.c1ccc(P(c2ccccc2)c2cccnc2)cc1
InChIInChI=1S/2C66H90N4O4.4C17H14NP.2CH2Cl2.4Zn/c2*1-59(2,3)43-25-39(55(71)47(29-43)63(13,14)15)35-67-51-33-53(69-37-41-27-45(61(7,8)9)31-49(57(41)73)65(19,20)21)54(70-38-42-28-46(62(10,11)12)32-50(58(42)74)66(22,23)24)34-52(51)68-36-40-26-44(60(4,5)6)30-48(56(40)72)64(16,17)18;4*1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)17-12-7-13-18-14-17;2*2-1-3;;;;/h2*25-38,71-74H,1-24H3;4*1-14H;2*1H2;;;;/q;;;;;;;;4*+2/p-8/b2*67-35+,68-36+,69-37+,70-38+;;;;;;;;;;
InChIKeyWBJSQIBUDJUQLB-FFDGNIHMSA-F
XLogP44.92
TPSA334.92 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003483.42
LogP ≤ 544.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tetrazinc;bis(2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(dichloromethane);tetrakis(diphenyl(pyridin-3-yl)phosphane) with MolForge

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Related Compounds

Dizinc;2,4-ditert-butyl-6-[[2-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-4-methylphenyl]azanidyl-5-methylphenyl]iminomethyl]phenolate;dichloromethane;bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate
CID 168338455
[Ti2{(2-NC5H4)CH2N{CH2(2-O-4,6-C6H2(t-Bu)2)}2}2(mu-O)2] . 3(CH2Cl2)
CID 139096122
dizinc;acetonitrile;bis(2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(3-[(2R)-1-methylpyrrolidin-2-yl]pyridine)
CID 139127793
dizinc;2-tert-butyl-6-[[2,4,5-tris[(3-tert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;3-[(2R)-1-methylpyrrolidin-2-yl]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 139127794
dizinc;bis(2,4-ditert-butyl-6-[[4-[(Z)-(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidyl-3-pyridinyl]iminomethyl]phenolate);2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(palladium(2+));tetrakis(propan-2-one)
CID 139127919
Hexazinc;hexakis(2-tert-butyl-6-[[2-[(3-tert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(tripyridin-3-ylphosphane)
CID 168305780

Frequently Asked Questions

What is the IUPAC name of tetrazinc;bis(2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(dichloromethane);tetrakis(diphenyl(pyridin-3-yl)phosphane)?
The IUPAC name of tetrazinc;bis(2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(dichloromethane);tetrakis(diphenyl(pyridin-3-yl)phosphane) (CID 139151730) is tetrazinc;bis(2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(dichloromethane);tetrakis(diphenyl(pyridin-3-yl)phosphane).
What is the SMILES notation for tetrazinc;bis(2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(dichloromethane);tetrakis(diphenyl(pyridin-3-yl)phosphane)?
The canonical SMILES for tetrazinc;bis(2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(dichloromethane);tetrakis(diphenyl(pyridin-3-yl)phosphane) is CC(C)(C)c1cc(/C=N/c2cc(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3[O-])c(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3[O-])cc2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/c2cc(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3[O-])c(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3[O-])cc2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.ClCCl.ClCCl.[Zn+2].[Zn+2].[Zn+2].[Zn+2].c1ccc(P(c2ccccc2)c2cccnc2)cc1.c1ccc(P(c2ccccc2)c2cccnc2)cc1.c1ccc(P(c2ccccc2)c2cccnc2)cc1.c1ccc(P(c2ccccc2)c2cccnc2)cc1.
What is the InChIKey of tetrazinc;bis(2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(dichloromethane);tetrakis(diphenyl(pyridin-3-yl)phosphane)?
The InChIKey is WBJSQIBUDJUQLB-FFDGNIHMSA-F. The full InChI is InChI=1S/2C66H90N4O4.4C17H14NP.2CH2Cl2.4Zn/c2*1-59(2,3)43-25-39(55(71)47(29-43)63(13,14)15)35-67-51-33-53(69-37-41-27-45(61(7,8)9)31-49(57(41)73)65(19,20)21)54(70-38-42-28-46(62(10,11)12)32-50(58(42)74)66(22,23)24)34-52(51)68-36-40-26-44(60(4,5)6)30-48(56(40)72)64(16,17)18;4*1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)17-12-7-13-18-14-17;2*2-1-3;;;;/h2*25-38,71-74H,1-24H3;4*1-14H;2*1H2;;;;/q;;;;;;;;4*+2/p-8/b2*67-35+,68-36+,69-37+,70-38+;;;;;;;;;;.
What are the key properties of tetrazinc;bis(2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(dichloromethane);tetrakis(diphenyl(pyridin-3-yl)phosphane)?
tetrazinc;bis(2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(dichloromethane);tetrakis(diphenyl(pyridin-3-yl)phosphane) has a molecular weight of 3483.42 g/mol, XLogP of 44.92, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrazinc;bis(2,4-ditert-butyl-6-[[2,4,5-tris[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(dichloromethane);tetrakis(diphenyl(pyridin-3-yl)phosphane) is sourced from PubChem (CID 139151730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).