bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium)

C62H62N4O4Pd2-2 — CID 22836588

IUPACbis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium)
SMILESCc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.O=C1C=CC(=O)c2ccccc21.O=C1C=CC(=O)c2ccccc21.[Pd].[Pd]
InChIInChI=1S/2C21H25N2.2C10H6O2.2Pd/c2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2*11-9-5-6-10(12)8-4-2-1-3-7(8)9;;/h2*7-13H,1-6H3;2*1-6H;;/q2*-1;;;;
InChIKeyINEIMLATTVDVTP-UHFFFAOYSA-N
MW1140.04 g/mol
LogP14.15
Rot. Bonds4

About bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium)

bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium) (PubChem CID 22836588) has the molecular formula C62H62N4O4Pd2-2 and a molecular weight of 1140.04 g/mol. Its IUPAC name is bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium).

Molecular Properties

Compound Namebis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium)
PubChem CID22836588
Molecular FormulaC62H62N4O4Pd2-2
Molecular Weight1140.04 g/mol
Exact Mass1138.29
IUPAC Namebis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium)
SMILESCc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.O=C1C=CC(=O)c2ccccc21.O=C1C=CC(=O)c2ccccc21.[Pd].[Pd]
InChIInChI=1S/2C21H25N2.2C10H6O2.2Pd/c2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2*11-9-5-6-10(12)8-4-2-1-3-7(8)9;;/h2*7-13H,1-6H3;2*1-6H;;/q2*-1;;;;
InChIKeyINEIMLATTVDVTP-UHFFFAOYSA-N
XLogP14.15
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001140.04
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;trichloroindigane
CID 5256746
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;carbanide;chloronickel
CID 138962644
ethane;naphthalene-1,4-dione
CID 54088717
sodium naphthalene-1,4-dione
CID 18935707
gold;naphthalene-1,4-dione
CID 159229238
hydron;naphthalene-1,4-dione
CID 174880921
2-[2-(2,4,6-trimethylphenyl)phenyl]cyclohexa-2,5-diene-1,4-dione
CID 175597368
CID 59380818
CID 59380818
5,6-dimethyl-1-(2,4,6-trimethylphenyl)-3-[3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
CID 164730504
hydrazine;naphthalene-1,4-dione
CID 67783218
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;carbanide;bis(ditert-butyl (E)-but-2-enedioate);nickel(3+)
CID 164886801
acetic acid;naphthalene-1,4-dione
CID 163817542

Frequently Asked Questions

What is the IUPAC name of bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium)?
The IUPAC name of bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium) (CID 22836588) is bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium).
What is the SMILES notation for bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium)?
The canonical SMILES for bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium) is Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.O=C1C=CC(=O)c2ccccc21.O=C1C=CC(=O)c2ccccc21.[Pd].[Pd].
What is the InChIKey of bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium)?
The InChIKey is INEIMLATTVDVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H25N2.2C10H6O2.2Pd/c2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2*11-9-5-6-10(12)8-4-2-1-3-7(8)9;;/h2*7-13H,1-6H3;2*1-6H;;/q2*-1;;;;.
What are the key properties of bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium)?
bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium) has a molecular weight of 1140.04 g/mol, XLogP of 14.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium) is sourced from PubChem (CID 22836588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).