4,4,5,5-tetramethyl-2-phenyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline

C37H34N4OSi — CID 155616688

About 4,4,5,5-tetramethyl-2-phenyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline

4,4,5,5-tetramethyl-2-phenyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline (PubChem CID 155616688) has the molecular formula C37H34N4OSi and a molecular weight of 578.79 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-phenyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline.

Molecular Properties

• Compound Name: 4,4,5,5-tetramethyl-2-phenyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline
• PubChem CID: 155616688
• Molecular Formula: C37H34N4OSi
• Molecular Weight: 578.79 g/mol
• Exact Mass: 578.25
• IUPAC Name: 4,4,5,5-tetramethyl-2-phenyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline
• SMILES: CC1(C)C2=CN(c3ccccc3)CN2c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)ccc2[Si]1(C)C
• InChI: InChI=1S/C37H34N4OSi/c1-37(2)35-24-39(26-12-6-5-7-13-26)25-40(35)33-23-28(18-20-34(33)43(37,3)4)42-27-17-19-30-29-14-8-9-15-31(29)41(32(30)22-27)36-16-10-11-21-38-36/h5-24H,25H2,1-4H3
• InChIKey: UFKGLZVMGDKZPZ-UHFFFAOYSA-N
• XLogP: 8.81
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.79
LogP ≤ 5	8.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-phenyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline?

The IUPAC name of 4,4,5,5-tetramethyl-2-phenyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline (CID 155616688) is 4,4,5,5-tetramethyl-2-phenyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline.

What is the SMILES notation for 4,4,5,5-tetramethyl-2-phenyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline?

The canonical SMILES for 4,4,5,5-tetramethyl-2-phenyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline is CC1(C)C2=CN(c3ccccc3)CN2c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)ccc2[Si]1(C)C.

What is the InChIKey of 4,4,5,5-tetramethyl-2-phenyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline?

The InChIKey is UFKGLZVMGDKZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N4OSi/c1-37(2)35-24-39(26-12-6-5-7-13-26)25-40(35)33-23-28(18-20-34(33)43(37,3)4)42-27-17-19-30-29-14-8-9-15-31(29)41(32(30)22-27)36-16-10-11-21-38-36/h5-24H,25H2,1-4H3.

What are the key properties of 4,4,5,5-tetramethyl-2-phenyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline?

4,4,5,5-tetramethyl-2-phenyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline has a molecular weight of 578.79 g/mol, XLogP of 8.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4,5,5-tetramethyl-2-phenyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline is sourced from PubChem (CID 155616688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).