2-[2-[4,5-bis[4-[2-tri(propan-2-yl)silylethynyl]anilino]imidazol-2-ylidene]ethylidene]-4-N,5-N-bis[4-[2-tri(propan-2-yl)silylethynyl]phenyl]imidazole-4,5-diamine

C76H106N8Si4 — CID 101195001

About 2-[2-[4,5-bis[4-[2-tri(propan-2-yl)silylethynyl]anilino]imidazol-2-ylidene]ethylidene]-4-N,5-N-bis[4-[2-tri(propan-2-yl)silylethynyl]phenyl]imidazole-4,5-diamine

2-[2-[4,5-bis[4-[2-tri(propan-2-yl)silylethynyl]anilino]imidazol-2-ylidene]ethylidene]-4-N,5-N-bis[4-[2-tri(propan-2-yl)silylethynyl]phenyl]imidazole-4,5-diamine (PubChem CID 101195001) has the molecular formula C76H106N8Si4 and a molecular weight of 1244.08 g/mol. Its IUPAC name is 2-[2-[4,5-bis[4-[2-tri(propan-2-yl)silylethynyl]anilino]imidazol-2-ylidene]ethylidene]-4-N,5-N-bis[4-[2-tri(propan-2-yl)silylethynyl]phenyl]imidazole-4,5-diamine.

Molecular Properties

• Compound Name: 2-[2-[4,5-bis[4-[2-tri(propan-2-yl)silylethynyl]anilino]imidazol-2-ylidene]ethylidene]-4-N,5-N-bis[4-[2-tri(propan-2-yl)silylethynyl]phenyl]imidazole-4,5-diamine
• PubChem CID: 101195001
• Molecular Formula: C76H106N8Si4
• Molecular Weight: 1244.08 g/mol
• Exact Mass: 1242.76
• IUPAC Name: 2-[2-[4,5-bis[4-[2-tri(propan-2-yl)silylethynyl]anilino]imidazol-2-ylidene]ethylidene]-4-N,5-N-bis[4-[2-tri(propan-2-yl)silylethynyl]phenyl]imidazole-4,5-diamine
• SMILES: CC(C)[Si](C#Cc1ccc(NC2=NC(=CC=C3N=C(Nc4ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc4)C(Nc4ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc4)=N3)N=C2Nc2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1)(C(C)C)C(C)C
• InChI: InChI=1S/C76H106N8Si4/c1-51(2)85(52(3)4,53(5)6)47-43-63-25-33-67(34-26-63)77-73-74(78-68-35-27-64(28-36-68)44-48-86(54(7)8,55(9)10)56(11)12)82-71(81-73)41-42-72-83-75(79-69-37-29-65(30-38-69)45-49-87(57(13)14,58(15)16)59(17)18)76(84-72)80-70-39-31-66(32-40-70)46-50-88(60(19)20,61(21)22)62(23)24/h25-42,51-62H,1-24H3,(H,77,81)(H,78,82)(H,79,83)(H,80,84)
• InChIKey: GAAYWRYCANZVEB-UHFFFAOYSA-N
• XLogP: 21.02
• TPSA: 97.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1244.08
LogP ≤ 5	21.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4,5-bis[4-[2-tri(propan-2-yl)silylethynyl]anilino]imidazol-2-ylidene]ethylidene]-4-N,5-N-bis[4-[2-tri(propan-2-yl)silylethynyl]phenyl]imidazole-4,5-diamine?

The IUPAC name of 2-[2-[4,5-bis[4-[2-tri(propan-2-yl)silylethynyl]anilino]imidazol-2-ylidene]ethylidene]-4-N,5-N-bis[4-[2-tri(propan-2-yl)silylethynyl]phenyl]imidazole-4,5-diamine (CID 101195001) is 2-[2-[4,5-bis[4-[2-tri(propan-2-yl)silylethynyl]anilino]imidazol-2-ylidene]ethylidene]-4-N,5-N-bis[4-[2-tri(propan-2-yl)silylethynyl]phenyl]imidazole-4,5-diamine.

What is the SMILES notation for 2-[2-[4,5-bis[4-[2-tri(propan-2-yl)silylethynyl]anilino]imidazol-2-ylidene]ethylidene]-4-N,5-N-bis[4-[2-tri(propan-2-yl)silylethynyl]phenyl]imidazole-4,5-diamine?

The canonical SMILES for 2-[2-[4,5-bis[4-[2-tri(propan-2-yl)silylethynyl]anilino]imidazol-2-ylidene]ethylidene]-4-N,5-N-bis[4-[2-tri(propan-2-yl)silylethynyl]phenyl]imidazole-4,5-diamine is CC(C)[Si](C#Cc1ccc(NC2=NC(=CC=C3N=C(Nc4ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc4)C(Nc4ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc4)=N3)N=C2Nc2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1)(C(C)C)C(C)C.

What is the InChIKey of 2-[2-[4,5-bis[4-[2-tri(propan-2-yl)silylethynyl]anilino]imidazol-2-ylidene]ethylidene]-4-N,5-N-bis[4-[2-tri(propan-2-yl)silylethynyl]phenyl]imidazole-4,5-diamine?

The InChIKey is GAAYWRYCANZVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H106N8Si4/c1-51(2)85(52(3)4,53(5)6)47-43-63-25-33-67(34-26-63)77-73-74(78-68-35-27-64(28-36-68)44-48-86(54(7)8,55(9)10)56(11)12)82-71(81-73)41-42-72-83-75(79-69-37-29-65(30-38-69)45-49-87(57(13)14,58(15)16)59(17)18)76(84-72)80-70-39-31-66(32-40-70)46-50-88(60(19)20,61(21)22)62(23)24/h25-42,51-62H,1-24H3,(H,77,81)(H,78,82)(H,79,83)(H,80,84).

What are the key properties of 2-[2-[4,5-bis[4-[2-tri(propan-2-yl)silylethynyl]anilino]imidazol-2-ylidene]ethylidene]-4-N,5-N-bis[4-[2-tri(propan-2-yl)silylethynyl]phenyl]imidazole-4,5-diamine?

2-[2-[4,5-bis[4-[2-tri(propan-2-yl)silylethynyl]anilino]imidazol-2-ylidene]ethylidene]-4-N,5-N-bis[4-[2-tri(propan-2-yl)silylethynyl]phenyl]imidazole-4,5-diamine has a molecular weight of 1244.08 g/mol, XLogP of 21.02, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4,5-bis[4-[2-tri(propan-2-yl)silylethynyl]anilino]imidazol-2-ylidene]ethylidene]-4-N,5-N-bis[4-[2-tri(propan-2-yl)silylethynyl]phenyl]imidazole-4,5-diamine is sourced from PubChem (CID 101195001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).