2-(2,6-diphenylphenyl)-4,4,5,5-tetramethyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline

C49H42N4OSi — CID 155616628

About 2-(2,6-diphenylphenyl)-4,4,5,5-tetramethyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline

2-(2,6-diphenylphenyl)-4,4,5,5-tetramethyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline (PubChem CID 155616628) has the molecular formula C49H42N4OSi and a molecular weight of 730.99 g/mol. Its IUPAC name is 2-(2,6-diphenylphenyl)-4,4,5,5-tetramethyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline.

Molecular Properties

• Compound Name: 2-(2,6-diphenylphenyl)-4,4,5,5-tetramethyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline
• PubChem CID: 155616628
• Molecular Formula: C49H42N4OSi
• Molecular Weight: 730.99 g/mol
• Exact Mass: 730.31
• IUPAC Name: 2-(2,6-diphenylphenyl)-4,4,5,5-tetramethyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline
• SMILES: CC1(C)C2=CN(c3c(-c4ccccc4)cccc3-c3ccccc3)CN2c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)ccc2[Si]1(C)C
• InChI: InChI=1S/C49H42N4OSi/c1-49(2)46-32-51(48-38(34-16-7-5-8-17-34)21-15-22-39(48)35-18-9-6-10-19-35)33-52(46)44-31-37(26-28-45(44)55(49,3)4)54-36-25-27-41-40-20-11-12-23-42(40)53(43(41)30-36)47-24-13-14-29-50-47/h5-32H,33H2,1-4H3
• InChIKey: IIHVNBYOSDPSKZ-UHFFFAOYSA-N
• XLogP: 12.14
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.99
LogP ≤ 5	12.14
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 2-(2,6-diphenylphenyl)-4,4,5,5-tetramethyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline?

The IUPAC name of 2-(2,6-diphenylphenyl)-4,4,5,5-tetramethyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline (CID 155616628) is 2-(2,6-diphenylphenyl)-4,4,5,5-tetramethyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline.

What is the SMILES notation for 2-(2,6-diphenylphenyl)-4,4,5,5-tetramethyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline?

The canonical SMILES for 2-(2,6-diphenylphenyl)-4,4,5,5-tetramethyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline is CC1(C)C2=CN(c3c(-c4ccccc4)cccc3-c3ccccc3)CN2c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)ccc2[Si]1(C)C.

What is the InChIKey of 2-(2,6-diphenylphenyl)-4,4,5,5-tetramethyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline?

The InChIKey is IIHVNBYOSDPSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H42N4OSi/c1-49(2)46-32-51(48-38(34-16-7-5-8-17-34)21-15-22-39(48)35-18-9-6-10-19-35)33-52(46)44-31-37(26-28-45(44)55(49,3)4)54-36-25-27-41-40-20-11-12-23-42(40)53(43(41)30-36)47-24-13-14-29-50-47/h5-32H,33H2,1-4H3.

What are the key properties of 2-(2,6-diphenylphenyl)-4,4,5,5-tetramethyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline?

2-(2,6-diphenylphenyl)-4,4,5,5-tetramethyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline has a molecular weight of 730.99 g/mol, XLogP of 12.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-diphenylphenyl)-4,4,5,5-tetramethyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline is sourced from PubChem (CID 155616628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).