diiodopalladium;1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2H-benzimidazol-2-ide

C36H36I2N4Pd-2 — CID 138962119

IUPACdiiodopalladium;1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2H-benzimidazol-2-ide
SMILESCN1[CH-]N(c2ccc3c(c2-c2c(N4[CH-]N(C)c5ccccc54)ccc4c2CCCC4)CCCC3)c2ccccc21.I[Pd]I
InChIInChI=1S/C36H36N4.2HI.Pd/c1-37-23-39(31-17-9-7-15-29(31)37)33-21-19-25-11-3-5-13-27(25)35(33)36-28-14-6-4-12-26(28)20-22-34(36)40-24-38(2)30-16-8-10-18-32(30)40;;;/h7-10,15-24H,3-6,11-14H2,1-2H3;2*1H;/q-2;;;+2/p-2
InChIKeyFLHHMDSUPWEHDP-UHFFFAOYSA-L
MW884.94 g/mol
LogP10.29
Rot. Bonds3

About diiodopalladium;1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2H-benzimidazol-2-ide

diiodopalladium;1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2H-benzimidazol-2-ide (PubChem CID 138962119) has the molecular formula C36H36I2N4Pd-2 and a molecular weight of 884.94 g/mol. Its IUPAC name is diiodopalladium;1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2H-benzimidazol-2-ide.

Molecular Properties

Compound Namediiodopalladium;1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2H-benzimidazol-2-ide
PubChem CID138962119
Molecular FormulaC36H36I2N4Pd-2
Molecular Weight884.94 g/mol
Exact Mass884.01
IUPAC Namediiodopalladium;1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2H-benzimidazol-2-ide
SMILESCN1[CH-]N(c2ccc3c(c2-c2c(N4[CH-]N(C)c5ccccc54)ccc4c2CCCC4)CCCC3)c2ccccc21.I[Pd]I
InChIInChI=1S/C36H36N4.2HI.Pd/c1-37-23-39(31-17-9-7-15-29(31)37)33-21-19-25-11-3-5-13-27(25)35(33)36-28-14-6-4-12-26(28)20-22-34(36)40-24-38(2)30-16-8-10-18-32(30)40;;;/h7-10,15-24H,3-6,11-14H2,1-2H3;2*1H;/q-2;;;+2/p-2
InChIKeyFLHHMDSUPWEHDP-UHFFFAOYSA-L
XLogP10.29
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.94
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diiodopalladium;1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2H-benzimidazol-2-ide?
The IUPAC name of diiodopalladium;1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2H-benzimidazol-2-ide (CID 138962119) is diiodopalladium;1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2H-benzimidazol-2-ide.
What is the SMILES notation for diiodopalladium;1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2H-benzimidazol-2-ide?
The canonical SMILES for diiodopalladium;1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2H-benzimidazol-2-ide is CN1[CH-]N(c2ccc3c(c2-c2c(N4[CH-]N(C)c5ccccc54)ccc4c2CCCC4)CCCC3)c2ccccc21.I[Pd]I.
What is the InChIKey of diiodopalladium;1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2H-benzimidazol-2-ide?
The InChIKey is FLHHMDSUPWEHDP-UHFFFAOYSA-L. The full InChI is InChI=1S/C36H36N4.2HI.Pd/c1-37-23-39(31-17-9-7-15-29(31)37)33-21-19-25-11-3-5-13-27(25)35(33)36-28-14-6-4-12-26(28)20-22-34(36)40-24-38(2)30-16-8-10-18-32(30)40;;;/h7-10,15-24H,3-6,11-14H2,1-2H3;2*1H;/q-2;;;+2/p-2.
What are the key properties of diiodopalladium;1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2H-benzimidazol-2-ide?
diiodopalladium;1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2H-benzimidazol-2-ide has a molecular weight of 884.94 g/mol, XLogP of 10.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diiodopalladium;1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-2-id-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2H-benzimidazol-2-ide is sourced from PubChem (CID 138962119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).