[1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium

C27H34Br2N2Pd — CID 87187948

IUPAC[1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium
SMILESCC(C)c1cc(Br)cc(C(C)C)c1-n1ccn(-c2c(C(C)C)cc(Br)cc2C(C)C)c1=[Pd]
InChIInChI=1S/C27H34Br2N2.Pd/c1-16(2)22-11-20(28)12-23(17(3)4)26(22)30-9-10-31(15-30)27-24(18(5)6)13-21(29)14-25(27)19(7)8;/h9-14,16-19H,1-8H3;
InChIKeyVAZPYHNAANGHTB-UHFFFAOYSA-N
MW652.81 g/mol
LogP9.37
Rot. Bonds6

About [1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium

[1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium (PubChem CID 87187948) has the molecular formula C27H34Br2N2Pd and a molecular weight of 652.81 g/mol. Its IUPAC name is [1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium.

Molecular Properties

Compound Name[1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium
PubChem CID87187948
Molecular FormulaC27H34Br2N2Pd
Molecular Weight652.81 g/mol
Exact Mass650.01
IUPAC Name[1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium
SMILESCC(C)c1cc(Br)cc(C(C)C)c1-n1ccn(-c2c(C(C)C)cc(Br)cc2C(C)C)c1=[Pd]
InChIInChI=1S/C27H34Br2N2.Pd/c1-16(2)22-11-20(28)12-23(17(3)4)26(22)30-9-10-31(15-30)27-24(18(5)6)13-21(29)14-25(27)19(7)8;/h9-14,16-19H,1-8H3;
InChIKeyVAZPYHNAANGHTB-UHFFFAOYSA-N
XLogP9.37
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.81
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium;hydrate
CID 141164951
1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole
CID 163729444
lithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide
CID 59171144
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]silver;difluoromethane
CID 166438558
bis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-chloronickel);dihydrate
CID 11297642
5-[4-bromo-2,6-di(propan-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373945
1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene
CID 126608080
bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]amino]-ethynyl-methylphosphanium
CID 154700444
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
2,4-dibromo-6-propan-2-ylpyridine
CID 66520791
1-bromo-2,5-difluoro-4-propan-2-ylbenzene
CID 58333577
4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
CID 22039362

Frequently Asked Questions

What is the IUPAC name of [1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium?
The IUPAC name of [1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium (CID 87187948) is [1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium.
What is the SMILES notation for [1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium?
The canonical SMILES for [1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium is CC(C)c1cc(Br)cc(C(C)C)c1-n1ccn(-c2c(C(C)C)cc(Br)cc2C(C)C)c1=[Pd].
What is the InChIKey of [1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium?
The InChIKey is VAZPYHNAANGHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34Br2N2.Pd/c1-16(2)22-11-20(28)12-23(17(3)4)26(22)30-9-10-31(15-30)27-24(18(5)6)13-21(29)14-25(27)19(7)8;/h9-14,16-19H,1-8H3;.
What are the key properties of [1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium?
[1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium has a molecular weight of 652.81 g/mol, XLogP of 9.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium is sourced from PubChem (CID 87187948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).