[4-[3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole

C166H116N12Si — CID 161052102

About [4-[3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole

[4-[3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 161052102) has the molecular formula C166H116N12Si and a molecular weight of 2306.92 g/mol. Its IUPAC name is [4-[3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: [4-[3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
• PubChem CID: 161052102
• Molecular Formula: C166H116N12Si
• Molecular Weight: 2306.92 g/mol
• Exact Mass: 2304.92
• IUPAC Name: [4-[3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
• SMILES: C[Si](C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc32)cc1.Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc32)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc43)c2)cc1
• InChI: InChI=1S/C58H38N4.C55H42N4Si.C53H36N4/c1-4-16-39(17-5-1)42-22-14-24-46(34-42)61-54-28-12-10-26-48(54)50-36-43(30-32-56(50)61)44-31-33-57-51(37-44)49-27-11-13-29-55(49)62(57)47-25-15-23-45(35-47)53-38-52(40-18-6-2-7-19-40)59-58(60-53)41-20-8-3-9-21-41;1-60(2,3)44-30-28-43(29-31-44)59-52-21-13-11-19-46(52)48-35-41(25-33-54(48)59)40-24-32-53-47(34-40)45-18-10-12-20-51(45)58(53)42-26-22-38(23-27-42)50-36-49(37-14-6-4-7-15-37)56-55(57-50)39-16-8-5-9-17-39;1-35-23-27-41(28-24-35)56-49-21-10-8-19-43(49)45-32-38(25-29-51(45)56)39-26-30-52-46(33-39)44-20-9-11-22-50(44)57(52)42-18-12-17-40(31-42)48-34-47(36-13-4-2-5-14-36)54-53(55-48)37-15-6-3-7-16-37/h1-38H;4-36H,1-3H3;2-34H,1H3
• InChIKey: UCGTUHMWMCMOQQ-UHFFFAOYSA-N
• XLogP: 42.54
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2306.92
LogP ≤ 5	42.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?

The IUPAC name of [4-[3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (CID 161052102) is [4-[3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole.

What is the SMILES notation for [4-[3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?

The canonical SMILES for [4-[3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is C[Si](C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc32)cc1.Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc32)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc43)c2)cc1.

What is the InChIKey of [4-[3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?

The InChIKey is UCGTUHMWMCMOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4.C55H42N4Si.C53H36N4/c1-4-16-39(17-5-1)42-22-14-24-46(34-42)61-54-28-12-10-26-48(54)50-36-43(30-32-56(50)61)44-31-33-57-51(37-44)49-27-11-13-29-55(49)62(57)47-25-15-23-45(35-47)53-38-52(40-18-6-2-7-19-40)59-58(60-53)41-20-8-3-9-21-41;1-60(2,3)44-30-28-43(29-31-44)59-52-21-13-11-19-46(52)48-35-41(25-33-54(48)59)40-24-32-53-47(34-40)45-18-10-12-20-51(45)58(53)42-26-22-38(23-27-42)50-36-49(37-14-6-4-7-15-37)56-55(57-50)39-16-8-5-9-17-39;1-35-23-27-41(28-24-35)56-49-21-10-8-19-43(49)45-32-38(25-29-51(45)56)39-26-30-52-46(33-39)44-20-9-11-22-50(44)57(52)42-18-12-17-40(31-42)48-34-47(36-13-4-2-5-14-36)54-53(55-48)37-15-6-3-7-16-37/h1-38H;4-36H,1-3H3;2-34H,1H3.

What are the key properties of [4-[3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?

[4-[3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 2306.92 g/mol, XLogP of 42.54, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 161052102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).