[4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole

C107H76N8Si — CID 159916743

About [4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole

[4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole (PubChem CID 159916743) has the molecular formula C107H76N8Si and a molecular weight of 1501.93 g/mol. Its IUPAC name is [4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: [4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
• PubChem CID: 159916743
• Molecular Formula: C107H76N8Si
• Molecular Weight: 1501.93 g/mol
• Exact Mass: 1500.60
• IUPAC Name: [4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
• SMILES: C[Si](C)(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5c4)cc32)cc1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)c7c6)cc54)cc3)cc2)cc1
• InChI: InChI=1S/C58H38N4.C49H38N4Si/c1-4-14-39(15-5-1)40-24-26-41(27-25-40)42-28-32-47(33-29-42)61-54-22-12-10-20-48(54)50-34-30-45(36-56(50)61)46-31-35-51-49-21-11-13-23-55(49)62(57(51)37-46)58-59-52(43-16-6-2-7-17-43)38-53(60-58)44-18-8-3-9-19-44;1-54(2,3)38-26-24-37(25-27-38)52-45-20-12-10-18-39(45)41-28-22-35(30-47(41)52)36-23-29-42-40-19-11-13-21-46(40)53(48(42)31-36)49-50-43(33-14-6-4-7-15-33)32-44(51-49)34-16-8-5-9-17-34/h1-38H;4-32H,1-3H3
• InChIKey: NXWMWDYGFNYGCW-UHFFFAOYSA-N
• XLogP: 27.22
• TPSA: 71.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1501.93
LogP ≤ 5	27.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole?

The IUPAC name of [4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole (CID 159916743) is [4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole.

What is the SMILES notation for [4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole?

The canonical SMILES for [4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole is C[Si](C)(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5c4)cc32)cc1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)c7c6)cc54)cc3)cc2)cc1.

What is the InChIKey of [4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole?

The InChIKey is NXWMWDYGFNYGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4.C49H38N4Si/c1-4-14-39(15-5-1)40-24-26-41(27-25-40)42-28-32-47(33-29-42)61-54-22-12-10-20-48(54)50-34-30-45(36-56(50)61)46-31-35-51-49-21-11-13-23-55(49)62(57(51)37-46)58-59-52(43-16-6-2-7-17-43)38-53(60-58)44-18-8-3-9-19-44;1-54(2,3)38-26-24-37(25-27-38)52-45-20-12-10-18-39(45)41-28-22-35(30-47(41)52)36-23-29-42-40-19-11-13-21-46(40)53(48(42)31-36)49-50-43(33-14-6-4-7-15-33)32-44(51-49)34-16-8-5-9-17-34/h1-38H;4-32H,1-3H3.

What are the key properties of [4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole?

[4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole has a molecular weight of 1501.93 g/mol, XLogP of 27.22, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 159916743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).