[3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

C164H115N17Si2 — CID 165053274

IUPAC[3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCc1cccc(C)c1-c1nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc(-n2c3ccccc3c3ccccc32)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C51H35N5Si.C47H36N4Si.2C33H22N4/c1-4-20-37(21-5-1)57(38-22-6-2-7-23-38,39-24-8-3-9-25-39)40-26-18-19-36(35-40)49-52-50(55-45-31-14-10-27-41(45)42-28-11-15-32-46(42)55)54-51(53-49)56-47-33-16-12-29-43(47)44-30-13-17-34-48(44)56;1-33-18-16-19-34(2)44(33)46-48-45(49-47(50-46)51-42-30-14-12-28-40(42)41-29-13-15-31-43(41)51)35-20-17-27-39(32-35)52(36-21-6-3-7-22-36,37-23-8-4-9-24-37)38-25-10-5-11-26-38;1-4-12-23(13-5-1)31-34-32(24-14-6-2-7-15-24)36-33(35-31)25-20-21-30-28(22-25)27-18-10-11-19-29(27)37(30)26-16-8-3-9-17-26;1-3-12-23(13-4-1)31-34-32(24-14-5-2-6-15-24)36-33(35-31)25-16-11-17-26(22-25)37-29-20-9-7-18-27(29)28-19-8-10-21-30(28)37/h1-35H;3-32H,1-2H3;2*1-22H
InChIKeyPZTQJZBVYMOEIG-UHFFFAOYSA-N
MW2380.01 g/mol
LogP33.35
Rot. Bonds22

About [3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

[3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 165053274) has the molecular formula C164H115N17Si2 and a molecular weight of 2380.01 g/mol. Its IUPAC name is [3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name[3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID165053274
Molecular FormulaC164H115N17Si2
Molecular Weight2380.01 g/mol
Exact Mass2377.91
IUPAC Name[3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCc1cccc(C)c1-c1nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc(-n2c3ccccc3c3ccccc32)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C51H35N5Si.C47H36N4Si.2C33H22N4/c1-4-20-37(21-5-1)57(38-22-6-2-7-23-38,39-24-8-3-9-25-39)40-26-18-19-36(35-40)49-52-50(55-45-31-14-10-27-41(45)42-28-11-15-32-46(42)55)54-51(53-49)56-47-33-16-12-29-43(47)44-30-13-17-34-48(44)56;1-33-18-16-19-34(2)44(33)46-48-45(49-47(50-46)51-42-30-14-12-28-40(42)41-29-13-15-31-43(41)51)35-20-17-27-39(32-35)52(36-21-6-3-7-22-36,37-23-8-4-9-24-37)38-25-10-5-11-26-38;1-4-12-23(13-5-1)31-34-32(24-14-6-2-7-15-24)36-33(35-31)25-20-21-30-28(22-25)27-18-10-11-19-29(27)37(30)26-16-8-3-9-17-26;1-3-12-23(13-4-1)31-34-32(24-14-5-2-6-15-24)36-33(35-31)25-16-11-17-26(22-25)37-29-20-9-7-18-27(29)28-19-8-10-21-30(28)37/h1-35H;3-32H,1-2H3;2*1-22H
InChIKeyPZTQJZBVYMOEIG-UHFFFAOYSA-N
XLogP33.35
TPSA179.33 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms183
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002380.01
LogP ≤ 533.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze [3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of [3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 165053274) is [3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for [3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for [3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is Cc1cccc(C)c1-c1nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc(-n2c3ccccc3c3ccccc32)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.
What is the InChIKey of [3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is PZTQJZBVYMOEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N5Si.C47H36N4Si.2C33H22N4/c1-4-20-37(21-5-1)57(38-22-6-2-7-23-38,39-24-8-3-9-25-39)40-26-18-19-36(35-40)49-52-50(55-45-31-14-10-27-41(45)42-28-11-15-32-46(42)55)54-51(53-49)56-47-33-16-12-29-43(47)44-30-13-17-34-48(44)56;1-33-18-16-19-34(2)44(33)46-48-45(49-47(50-46)51-42-30-14-12-28-40(42)41-29-13-15-31-43(41)51)35-20-17-27-39(32-35)52(36-21-6-3-7-22-36,37-23-8-4-9-24-37)38-25-10-5-11-26-38;1-4-12-23(13-5-1)31-34-32(24-14-6-2-7-15-24)36-33(35-31)25-20-21-30-28(22-25)27-18-10-11-19-29(27)37(30)26-16-8-3-9-17-26;1-3-12-23(13-4-1)31-34-32(24-14-5-2-6-15-24)36-33(35-31)25-16-11-17-26(22-25)37-29-20-9-7-18-27(29)28-19-8-10-21-30(28)37/h1-35H;3-32H,1-2H3;2*1-22H.
What are the key properties of [3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
[3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 2380.01 g/mol, XLogP of 33.35, 22 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 165053274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).