11,11-dimethyl-4-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzosilolo[3,2-h]quinazoline

C52H36N4Si — CID 140829128

About 11,11-dimethyl-4-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzosilolo[3,2-h]quinazoline

11,11-dimethyl-4-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzosilolo[3,2-h]quinazoline (PubChem CID 140829128) has the molecular formula C52H36N4Si and a molecular weight of 744.97 g/mol. Its IUPAC name is 11,11-dimethyl-4-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzosilolo[3,2-h]quinazoline.

Molecular Properties

• Compound Name: 11,11-dimethyl-4-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzosilolo[3,2-h]quinazoline
• PubChem CID: 140829128
• Molecular Formula: C52H36N4Si
• Molecular Weight: 744.97 g/mol
• Exact Mass: 744.27
• IUPAC Name: 11,11-dimethyl-4-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzosilolo[3,2-h]quinazoline
• SMILES: C[Si]1(C)c2ccccc2-c2ccc3c(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)nc3c21
• InChI: InChI=1S/C52H36N4Si/c1-57(2)48-24-14-11-21-40(48)41-28-29-42-49(33-15-5-3-6-16-33)53-52(54-50(42)51(41)57)56-45-23-13-9-19-37(45)39-27-25-35(32-47(39)56)34-26-30-46-43(31-34)38-20-10-12-22-44(38)55(46)36-17-7-4-8-18-36/h3-32H,1-2H3
• InChIKey: GPHQOHFZOZDJMR-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.97
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-4-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzosilolo[3,2-h]quinazoline?

The IUPAC name of 11,11-dimethyl-4-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzosilolo[3,2-h]quinazoline (CID 140829128) is 11,11-dimethyl-4-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzosilolo[3,2-h]quinazoline.

What is the SMILES notation for 11,11-dimethyl-4-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzosilolo[3,2-h]quinazoline?

The canonical SMILES for 11,11-dimethyl-4-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzosilolo[3,2-h]quinazoline is C[Si]1(C)c2ccccc2-c2ccc3c(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)nc3c21.

What is the InChIKey of 11,11-dimethyl-4-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzosilolo[3,2-h]quinazoline?

The InChIKey is GPHQOHFZOZDJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4Si/c1-57(2)48-24-14-11-21-40(48)41-28-29-42-49(33-15-5-3-6-16-33)53-52(54-50(42)51(41)57)56-45-23-13-9-19-37(45)39-27-25-35(32-47(39)56)34-26-30-46-43(31-34)38-20-10-12-22-44(38)55(46)36-17-7-4-8-18-36/h3-32H,1-2H3.

What are the key properties of 11,11-dimethyl-4-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzosilolo[3,2-h]quinazoline?

11,11-dimethyl-4-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzosilolo[3,2-h]quinazoline has a molecular weight of 744.97 g/mol, XLogP of 11.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11,11-dimethyl-4-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzosilolo[3,2-h]quinazoline is sourced from PubChem (CID 140829128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).