carbanide;[1-[2,6-di(propan-2-yl)phenyl]-3-[6-[3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazol-2-id-1-yl]-2-pyridinyl]imidazol-2-ylidene]palladium

C37H47N5Pd-2 — CID 11411271

About carbanide;[1-[2,6-di(propan-2-yl)phenyl]-3-[6-[3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazol-2-id-1-yl]-2-pyridinyl]imidazol-2-ylidene]palladium

carbanide;[1-[2,6-di(propan-2-yl)phenyl]-3-[6-[3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazol-2-id-1-yl]-2-pyridinyl]imidazol-2-ylidene]palladium (PubChem CID 11411271) has the molecular formula C37H47N5Pd-2 and a molecular weight of 668.24 g/mol. Its IUPAC name is carbanide;[1-[2,6-di(propan-2-yl)phenyl]-3-[6-[3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazol-2-id-1-yl]-2-pyridinyl]imidazol-2-ylidene]palladium.

Molecular Properties

• Compound Name: carbanide;[1-[2,6-di(propan-2-yl)phenyl]-3-[6-[3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazol-2-id-1-yl]-2-pyridinyl]imidazol-2-ylidene]palladium
• PubChem CID: 11411271
• Molecular Formula: C37H47N5Pd-2
• Molecular Weight: 668.24 g/mol
• Exact Mass: 667.29
• IUPAC Name: carbanide;[1-[2,6-di(propan-2-yl)phenyl]-3-[6-[3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazol-2-id-1-yl]-2-pyridinyl]imidazol-2-ylidene]palladium
• SMILES: C[C-]1N(c2cccc(-n3ccn(-c4c(C(C)C)cccc4C(C)C)c3=[Pd])n2)C=CN1c1c(C(C)C)cccc1C(C)C.[CH3-]
• InChI: InChI=1S/C36H44N5.CH3.Pd/c1-24(2)29-13-10-14-30(25(3)4)35(29)39-20-19-38(23-39)33-17-12-18-34(37-33)40-21-22-41(28(40)9)36-31(26(5)6)15-11-16-32(36)27(7)8;;/h10-22,24-27H,1-9H3;1H3;/q2*-1
• InChIKey: WRKIKEOVWDLNBG-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 29.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.24
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;[1-[2,6-di(propan-2-yl)phenyl]-3-[6-[3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazol-2-id-1-yl]-2-pyridinyl]imidazol-2-ylidene]palladium?

The IUPAC name of carbanide;[1-[2,6-di(propan-2-yl)phenyl]-3-[6-[3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazol-2-id-1-yl]-2-pyridinyl]imidazol-2-ylidene]palladium (CID 11411271) is carbanide;[1-[2,6-di(propan-2-yl)phenyl]-3-[6-[3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazol-2-id-1-yl]-2-pyridinyl]imidazol-2-ylidene]palladium.

What is the SMILES notation for carbanide;[1-[2,6-di(propan-2-yl)phenyl]-3-[6-[3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazol-2-id-1-yl]-2-pyridinyl]imidazol-2-ylidene]palladium?

The canonical SMILES for carbanide;[1-[2,6-di(propan-2-yl)phenyl]-3-[6-[3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazol-2-id-1-yl]-2-pyridinyl]imidazol-2-ylidene]palladium is C[C-]1N(c2cccc(-n3ccn(-c4c(C(C)C)cccc4C(C)C)c3=[Pd])n2)C=CN1c1c(C(C)C)cccc1C(C)C.[CH3-].

What is the InChIKey of carbanide;[1-[2,6-di(propan-2-yl)phenyl]-3-[6-[3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazol-2-id-1-yl]-2-pyridinyl]imidazol-2-ylidene]palladium?

The InChIKey is WRKIKEOVWDLNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N5.CH3.Pd/c1-24(2)29-13-10-14-30(25(3)4)35(29)39-20-19-38(23-39)33-17-12-18-34(37-33)40-21-22-41(28(40)9)36-31(26(5)6)15-11-16-32(36)27(7)8;;/h10-22,24-27H,1-9H3;1H3;/q2*-1;.

What are the key properties of carbanide;[1-[2,6-di(propan-2-yl)phenyl]-3-[6-[3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazol-2-id-1-yl]-2-pyridinyl]imidazol-2-ylidene]palladium?

carbanide;[1-[2,6-di(propan-2-yl)phenyl]-3-[6-[3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazol-2-id-1-yl]-2-pyridinyl]imidazol-2-ylidene]palladium has a molecular weight of 668.24 g/mol, XLogP of 9.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[1-[2,6-di(propan-2-yl)phenyl]-3-[6-[3-[2,6-di(propan-2-yl)phenyl]-2-methylimidazol-2-id-1-yl]-2-pyridinyl]imidazol-2-ylidene]palladium is sourced from PubChem (CID 11411271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).