2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane

C224H165N11Si3 — CID 165065810

IUPAC2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane
SMILESCc1ccccc1-c1nc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.c1ccc(-c2nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C60H45N3.C59H43N3.C57H43N3Si2.C48H34N2Si/c1-44-24-20-21-41-55(44)58-62-56(45-25-22-39-53(42-45)59(47-27-8-2-9-28-47,48-29-10-3-11-30-48)49-31-12-4-13-32-49)61-57(63-58)46-26-23-40-54(43-46)60(50-33-14-5-15-34-50,51-35-16-6-17-36-51)52-37-18-7-19-38-52;1-8-24-44(25-9-1)55-60-56(45-26-22-40-53(42-45)58(47-28-10-2-11-29-47,48-30-12-3-13-31-48)49-32-14-4-15-33-49)62-57(61-55)46-27-23-41-54(43-46)59(50-34-16-5-17-35-50,51-36-18-6-19-37-51)52-38-20-7-21-39-52;1-8-24-44(25-9-1)55-58-56(45-26-22-40-53(42-45)61(47-28-10-2-11-29-47,48-30-12-3-13-31-48)49-32-14-4-15-33-49)60-57(59-55)46-27-23-41-54(43-46)62(50-34-16-5-17-35-50,51-36-18-6-19-37-51)52-38-20-7-21-39-52;1-4-18-37(19-5-1)51(38-20-6-2-7-21-38,39-22-8-3-9-23-39)40-24-16-17-35(33-40)49-47-30-15-12-27-43(47)44-34-36(31-32-48(44)49)50-45-28-13-10-25-41(45)42-26-11-14-29-46(42)50/h2-43H,1H3;2*1-43H;1-34H/i;;;10D,13D,25D,28D
InChIKeyRYBYYPGUKXUMCA-PAMNKGTASA-N
MW3099.14 g/mol
LogP44.47
Rot. Bonds39

About 2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane

2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane (PubChem CID 165065810) has the molecular formula C224H165N11Si3 and a molecular weight of 3099.14 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane.

Molecular Properties

Compound Name2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane
PubChem CID165065810
Molecular FormulaC224H165N11Si3
Molecular Weight3099.14 g/mol
Exact Mass3096.28
IUPAC Name2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane
SMILESCc1ccccc1-c1nc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.c1ccc(-c2nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C60H45N3.C59H43N3.C57H43N3Si2.C48H34N2Si/c1-44-24-20-21-41-55(44)58-62-56(45-25-22-39-53(42-45)59(47-27-8-2-9-28-47,48-29-10-3-11-30-48)49-31-12-4-13-32-49)61-57(63-58)46-26-23-40-54(43-46)60(50-33-14-5-15-34-50,51-35-16-6-17-36-51)52-37-18-7-19-38-52;1-8-24-44(25-9-1)55-60-56(45-26-22-40-53(42-45)58(47-28-10-2-11-29-47,48-30-12-3-13-31-48)49-32-14-4-15-33-49)62-57(61-55)46-27-23-41-54(43-46)59(50-34-16-5-17-35-50,51-36-18-6-19-37-51)52-38-20-7-21-39-52;1-8-24-44(25-9-1)55-58-56(45-26-22-40-53(42-45)61(47-28-10-2-11-29-47,48-30-12-3-13-31-48)49-32-14-4-15-33-49)60-57(59-55)46-27-23-41-54(43-46)62(50-34-16-5-17-35-50,51-36-18-6-19-37-51)52-38-20-7-21-39-52;1-4-18-37(19-5-1)51(38-20-6-2-7-21-38,39-22-8-3-9-23-39)40-24-16-17-35(33-40)49-47-30-15-12-27-43(47)44-34-36(31-32-48(44)49)50-45-28-13-10-25-41(45)42-26-11-14-29-46(42)50/h2-43H,1H3;2*1-43H;1-34H/i;;;10D,13D,25D,28D
InChIKeyRYBYYPGUKXUMCA-PAMNKGTASA-N
XLogP44.47
TPSA125.87 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds39
Heavy Atoms238
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003099.14
LogP ≤ 544.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane?
The IUPAC name of 2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane (CID 165065810) is 2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane.
What is the SMILES notation for 2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane?
The canonical SMILES for 2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane is Cc1ccccc1-c1nc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.c1ccc(-c2nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1.
What is the InChIKey of 2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane?
The InChIKey is RYBYYPGUKXUMCA-PAMNKGTASA-N. The full InChI is InChI=1S/C60H45N3.C59H43N3.C57H43N3Si2.C48H34N2Si/c1-44-24-20-21-41-55(44)58-62-56(45-25-22-39-53(42-45)59(47-27-8-2-9-28-47,48-29-10-3-11-30-48)49-31-12-4-13-32-49)61-57(63-58)46-26-23-40-54(43-46)60(50-33-14-5-15-34-50,51-35-16-6-17-36-51)52-37-18-7-19-38-52;1-8-24-44(25-9-1)55-60-56(45-26-22-40-53(42-45)58(47-28-10-2-11-29-47,48-30-12-3-13-31-48)49-32-14-4-15-33-49)62-57(61-55)46-27-23-41-54(43-46)59(50-34-16-5-17-35-50,51-36-18-6-19-37-51)52-38-20-7-21-39-52;1-8-24-44(25-9-1)55-58-56(45-26-22-40-53(42-45)61(47-28-10-2-11-29-47,48-30-12-3-13-31-48)49-32-14-4-15-33-49)60-57(59-55)46-27-23-41-54(43-46)62(50-34-16-5-17-35-50,51-36-18-6-19-37-51)52-38-20-7-21-39-52;1-4-18-37(19-5-1)51(38-20-6-2-7-21-38,39-22-8-3-9-23-39)40-24-16-17-35(33-40)49-47-30-15-12-27-43(47)44-34-36(31-32-48(44)49)50-45-28-13-10-25-41(45)42-26-11-14-29-46(42)50/h2-43H,1H3;2*1-43H;1-34H/i;;;10D,13D,25D,28D.
What are the key properties of 2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane?
2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane has a molecular weight of 3099.14 g/mol, XLogP of 44.47, 39 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane is sourced from PubChem (CID 165065810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).