methyl-diphenyl-[3-[2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]silane

C63H44N4Si — CID 90129296

About methyl-diphenyl-[3-[2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]silane

methyl-diphenyl-[3-[2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]silane (PubChem CID 90129296) has the molecular formula C63H44N4Si and a molecular weight of 885.16 g/mol. Its IUPAC name is methyl-diphenyl-[3-[2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]silane.

Molecular Properties

• Compound Name: methyl-diphenyl-[3-[2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]silane
• PubChem CID: 90129296
• Molecular Formula: C63H44N4Si
• Molecular Weight: 885.16 g/mol
• Exact Mass: 884.33
• IUPAC Name: methyl-diphenyl-[3-[2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]silane
• SMILES: C[Si](c1ccccc1)(c1ccccc1)c1cccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)nc3ccccc23)c1
• InChI: InChI=1S/C63H44N4Si/c1-68(49-21-7-3-8-22-49,50-23-9-4-10-24-50)51-25-17-18-46(40-51)62-55-28-11-14-29-57(55)64-63(65-62)43-32-36-48(37-33-43)66-59-31-16-13-27-53(59)56-41-44(35-39-60(56)66)45-34-38-54-52-26-12-15-30-58(52)67(61(54)42-45)47-19-5-2-6-20-47/h2-42H,1H3
• InChIKey: NMCDFAHMOFBCGN-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.16
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl-diphenyl-[3-[2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]silane?

The IUPAC name of methyl-diphenyl-[3-[2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]silane (CID 90129296) is methyl-diphenyl-[3-[2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]silane.

What is the SMILES notation for methyl-diphenyl-[3-[2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]silane?

The canonical SMILES for methyl-diphenyl-[3-[2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]silane is C[Si](c1ccccc1)(c1ccccc1)c1cccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)nc3ccccc23)c1.

What is the InChIKey of methyl-diphenyl-[3-[2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]silane?

The InChIKey is NMCDFAHMOFBCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N4Si/c1-68(49-21-7-3-8-22-49,50-23-9-4-10-24-50)51-25-17-18-46(40-51)62-55-28-11-14-29-57(55)64-63(65-62)43-32-36-48(37-33-43)66-59-31-16-13-27-53(59)56-41-44(35-39-60(56)66)45-34-38-54-52-26-12-15-30-58(52)67(61(54)42-45)47-19-5-2-6-20-47/h2-42H,1H3.

What are the key properties of methyl-diphenyl-[3-[2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]silane?

methyl-diphenyl-[3-[2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]silane has a molecular weight of 885.16 g/mol, XLogP of 13.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-diphenyl-[3-[2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]silane is sourced from PubChem (CID 90129296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).