bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl]-diiodogermane

C56H74GeI2N4 — CID 177405397

About bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl]-diiodogermane

bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl]-diiodogermane (PubChem CID 177405397) has the molecular formula C56H74GeI2N4 and a molecular weight of 1129.65 g/mol. Its IUPAC name is bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl]-diiodogermane.

Molecular Properties

• Compound Name: bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl]-diiodogermane
• PubChem CID: 177405397
• Molecular Formula: C56H74GeI2N4
• Molecular Weight: 1129.65 g/mol
• Exact Mass: 1130.32
• IUPAC Name: bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl]-diiodogermane
• SMILES: CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1=C[Ge](I)(I)C=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C
• InChI: InChI=1S/C56H74GeI2N4/c1-35(2)43-21-17-22-44(36(3)4)53(43)60-29-30-61(54-45(37(5)6)23-18-24-46(54)38(7)8)51(60)33-57(58,59)34-52-62(55-47(39(9)10)25-19-26-48(55)40(11)12)31-32-63(52)56-49(41(13)14)27-20-28-50(56)42(15)16/h17-42H,1-16H3
• InChIKey: ZXZQMMGDGLSQFA-UHFFFAOYSA-N
• XLogP: 18.04
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1129.65
LogP ≤ 5	18.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl]-diiodogermane?

The IUPAC name of bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl]-diiodogermane (CID 177405397) is bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl]-diiodogermane.

What is the SMILES notation for bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl]-diiodogermane?

The canonical SMILES for bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl]-diiodogermane is CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1=C[Ge](I)(I)C=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C.

What is the InChIKey of bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl]-diiodogermane?

The InChIKey is ZXZQMMGDGLSQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H74GeI2N4/c1-35(2)43-21-17-22-44(36(3)4)53(43)60-29-30-61(54-45(37(5)6)23-18-24-46(54)38(7)8)51(60)33-57(58,59)34-52-62(55-47(39(9)10)25-19-26-48(55)40(11)12)31-32-63(52)56-49(41(13)14)27-20-28-50(56)42(15)16/h17-42H,1-16H3.

What are the key properties of bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl]-diiodogermane?

bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl]-diiodogermane has a molecular weight of 1129.65 g/mol, XLogP of 18.04, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl]-diiodogermane is sourced from PubChem (CID 177405397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).