[3-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]-5-methylphenyl]-trimethylsilane;[4-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]-trimethylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-methylcarbazol-3-yl]-triphenylsilane

C₂₇₆H₁₉₆N₂₀Si₄ — CID 158621000

About [3-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]-5-methylphenyl]-trimethylsilane;[4-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]-trimethylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-methylcarbazol-3-yl]-triphenylsilane

[3-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]-5-methylphenyl]-trimethylsilane;[4-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]-trimethylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-methylcarbazol-3-yl]-triphenylsilane (PubChem CID 158621000) has the molecular formula C₂₇₆H₁₉₆N₂₀Si₄ and a molecular weight of 3905.09 g/mol. Its IUPAC name is [3-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]-5-methylphenyl]-trimethylsilane;[4-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]-trimethylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-methylcarbazol-3-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]-5-methylphenyl]-trimethylsilane;[4-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]-trimethylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-methylcarbazol-3-yl]-triphenylsilane
• PubChem CID: 158621000
• Molecular Formula: C₂₇₆H₁₉₆N₂₀Si₄
• Molecular Weight: 3905.09 g/mol
• Exact Mass: 3901.50
• IUPAC Name: [3-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]-5-methylphenyl]-trimethylsilane;[4-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]-trimethylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-methylcarbazol-3-yl]-triphenylsilane
• SMILES: C[Si](C)(C)c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.Cc1cc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc([Si](C)(C)C)c1.Cc1ccc2c(c1)c1cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc1n2-c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc54)cc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C77H53N5Si.C76H51N5Si.C62H47N5Si.C61H45N5Si/c1-52-38-44-75-67(46-52)68-50-62(83(59-24-8-3-9-25-59,60-26-10-4-11-27-60)61-28-12-5-13-29-61)43-45-76(68)80(75)56-41-39-53(40-42-56)69-51-70(79-77(78-69)54-22-6-2-7-23-54)55-47-57(81-71-34-18-14-30-63(71)64-31-15-19-35-72(64)81)49-58(48-55)82-73-36-20-16-32-65(73)66-33-17-21-37-74(66)82;1-5-23-53(24-6-1)76-77-68(51-69(78-76)54-47-56(80-70-36-18-13-31-62(70)63-32-14-19-37-71(63)80)49-57(48-54)81-72-38-20-15-33-64(72)65-34-16-21-39-73(65)81)52-41-43-55(44-42-52)79-74-40-22-17-35-66(74)67-50-61(45-46-75(67)79)82(58-25-7-2-8-26-58,59-27-9-3-10-28-59)60-29-11-4-12-30-60;1-40-33-43(37-47(34-40)68(2,3)4)62-63-54(41-29-31-44(32-30-41)65-56-23-11-5-17-48(56)49-18-6-12-24-57(49)65)39-55(64-62)42-35-45(66-58-25-13-7-19-50(58)51-20-8-14-26-59(51)66)38-46(36-42)67-60-27-15-9-21-52(60)53-22-10-16-28-61(53)67;1-67(2,3)46-34-30-41(31-35-46)61-62-53(40-28-32-43(33-29-40)64-55-22-10-4-16-47(55)48-17-5-11-23-56(48)64)39-54(63-61)42-36-44(65-57-24-12-6-18-49(57)50-19-7-13-25-58(50)65)38-45(37-42)66-59-26-14-8-20-51(59)52-21-9-15-27-60(52)66/h2-51H,1H3;1-51H;5-39H,1-4H3;4-39H,1-3H3
• InChIKey: HXZJGPMALKKBKL-UHFFFAOYSA-N
• XLogP: 63.54
• TPSA: 162.28 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 34
• Heavy Atoms: 300
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3905.09
LogP ≤ 5	63.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]-5-methylphenyl]-trimethylsilane;[4-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]-trimethylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-methylcarbazol-3-yl]-triphenylsilane?

The IUPAC name of [3-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]-5-methylphenyl]-trimethylsilane;[4-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]-trimethylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-methylcarbazol-3-yl]-triphenylsilane (CID 158621000) is [3-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]-5-methylphenyl]-trimethylsilane;[4-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]-trimethylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-methylcarbazol-3-yl]-triphenylsilane.

What is the SMILES notation for [3-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]-5-methylphenyl]-trimethylsilane;[4-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]-trimethylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-methylcarbazol-3-yl]-triphenylsilane?

The canonical SMILES for [3-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]-5-methylphenyl]-trimethylsilane;[4-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]-trimethylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-methylcarbazol-3-yl]-triphenylsilane is C[Si](C)(C)c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.Cc1cc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc([Si](C)(C)C)c1.Cc1ccc2c(c1)c1cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc1n2-c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc54)cc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.

What is the InChIKey of [3-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]-5-methylphenyl]-trimethylsilane;[4-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]-trimethylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-methylcarbazol-3-yl]-triphenylsilane?

The InChIKey is HXZJGPMALKKBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H53N5Si.C76H51N5Si.C62H47N5Si.C61H45N5Si/c1-52-38-44-75-67(46-52)68-50-62(83(59-24-8-3-9-25-59,60-26-10-4-11-27-60)61-28-12-5-13-29-61)43-45-76(68)80(75)56-41-39-53(40-42-56)69-51-70(79-77(78-69)54-22-6-2-7-23-54)55-47-57(81-71-34-18-14-30-63(71)64-31-15-19-35-72(64)81)49-58(48-55)82-73-36-20-16-32-65(73)66-33-17-21-37-74(66)82;1-5-23-53(24-6-1)76-77-68(51-69(78-76)54-47-56(80-70-36-18-13-31-62(70)63-32-14-19-37-71(63)80)49-57(48-54)81-72-38-20-15-33-64(72)65-34-16-21-39-73(65)81)52-41-43-55(44-42-52)79-74-40-22-17-35-66(74)67-50-61(45-46-75(67)79)82(58-25-7-2-8-26-58,59-27-9-3-10-28-59)60-29-11-4-12-30-60;1-40-33-43(37-47(34-40)68(2,3)4)62-63-54(41-29-31-44(32-30-41)65-56-23-11-5-17-48(56)49-18-6-12-24-57(49)65)39-55(64-62)42-35-45(66-58-25-13-7-19-50(58)51-20-8-14-26-59(51)66)38-46(36-42)67-60-27-15-9-21-52(60)53-22-10-16-28-61(53)67;1-67(2,3)46-34-30-41(31-35-46)61-62-53(40-28-32-43(33-29-40)64-55-22-10-4-16-47(55)48-17-5-11-23-56(48)64)39-54(63-61)42-36-44(65-57-24-12-6-18-49(57)50-19-7-13-25-58(50)65)38-45(37-42)66-59-26-14-8-20-51(59)52-21-9-15-27-60(52)66/h2-51H,1H3;1-51H;5-39H,1-4H3;4-39H,1-3H3.

What are the key properties of [3-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]-5-methylphenyl]-trimethylsilane;[4-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]-trimethylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-methylcarbazol-3-yl]-triphenylsilane?

[3-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]-5-methylphenyl]-trimethylsilane;[4-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]-trimethylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-methylcarbazol-3-yl]-triphenylsilane has a molecular weight of 3905.09 g/mol, XLogP of 63.54, 34 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]-5-methylphenyl]-trimethylsilane;[4-[4-(4-carbazol-9-ylphenyl)-6-[3,5-di(carbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]-trimethylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-triphenylsilane;[9-[4-[6-[3,5-di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-methylcarbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 158621000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158621000 — identifiers, structure, computed properties (public domain)

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