bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine

C42H58Br4N4Pd2 — CID 20750698

IUPACbis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine
SMILESBr[Pd]Br.Br[Pd]Br.CC(=N\c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C)c(C)c(/N=C(C)/C(C)=N/c2c(C(C)C)cccc2C(C)C)c(C)c1C
InChIInChI=1S/C42H58N4.4BrH.2Pd/c1-23(2)35-19-17-20-36(24(3)4)41(35)45-33(15)31(13)43-39-27(9)29(11)40(30(12)28(39)10)44-32(14)34(16)46-42-37(25(5)6)21-18-22-38(42)26(7)8;;;;;;/h17-26H,1-16H3;4*1H;;/q;;;;;2*+2/p-4/b43-31+,44-32+,45-33+,46-34+;;;;;;
InChIKeyYNLFGMVJIUPIQW-PRKOADPOSA-J
MW1151.41 g/mol
LogP16.56
Rot. Bonds10

About bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine

bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine (PubChem CID 20750698) has the molecular formula C42H58Br4N4Pd2 and a molecular weight of 1151.41 g/mol. Its IUPAC name is bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine.

Molecular Properties

Compound Namebis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine
PubChem CID20750698
Molecular FormulaC42H58Br4N4Pd2
Molecular Weight1151.41 g/mol
Exact Mass1145.95
IUPAC Namebis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine
SMILESBr[Pd]Br.Br[Pd]Br.CC(=N\c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C)c(C)c(/N=C(C)/C(C)=N/c2c(C(C)C)cccc2C(C)C)c(C)c1C
InChIInChI=1S/C42H58N4.4BrH.2Pd/c1-23(2)35-19-17-20-36(24(3)4)41(35)45-33(15)31(13)43-39-27(9)29(11)40(30(12)28(39)10)44-32(14)34(16)46-42-37(25(5)6)21-18-22-38(42)26(7)8;;;;;;/h17-26H,1-16H3;4*1H;;/q;;;;;2*+2/p-4/b43-31+,44-32+,45-33+,46-34+;;;;;;
InChIKeyYNLFGMVJIUPIQW-PRKOADPOSA-J
XLogP16.56
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001151.41
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);nickel;toluene
CID 139138147
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);(Z)-but-2-ene-2,3-diolate;nickel
CID 139170937
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
2-N-(2,6-diethylphenyl)-3-N-[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;nickel
CID 87861081
CID 102466319
CID 102466319
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;nickel;[(E)-prop-1-enyl]benzene
CID 139167024
[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide
CID 23523221
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate
CID 139084602
1-N-(2,6-dibromophenyl)-2-N-[2,6-di(propan-2-yl)phenyl]-1-phenylpropane-1,2-diimine
CID 90084912
N-[(E)-3-chloro-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 139133966

Frequently Asked Questions

What is the IUPAC name of bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine?
The IUPAC name of bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine (CID 20750698) is bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine.
What is the SMILES notation for bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine?
The canonical SMILES for bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine is Br[Pd]Br.Br[Pd]Br.CC(=N\c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C)c(C)c(/N=C(C)/C(C)=N/c2c(C(C)C)cccc2C(C)C)c(C)c1C.
What is the InChIKey of bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine?
The InChIKey is YNLFGMVJIUPIQW-PRKOADPOSA-J. The full InChI is InChI=1S/C42H58N4.4BrH.2Pd/c1-23(2)35-19-17-20-36(24(3)4)41(35)45-33(15)31(13)43-39-27(9)29(11)40(30(12)28(39)10)44-32(14)34(16)46-42-37(25(5)6)21-18-22-38(42)26(7)8;;;;;;/h17-26H,1-16H3;4*1H;;/q;;;;;2*+2/p-4/b43-31+,44-32+,45-33+,46-34+;;;;;;.
What are the key properties of bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine?
bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine has a molecular weight of 1151.41 g/mol, XLogP of 16.56, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine is sourced from PubChem (CID 20750698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).