3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole

C66H66N6 — CID 163836034

IUPAC3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
SMILESCc1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(C(C)(C)C)ccc54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C66H66N6/c1-41-32-45(34-48(33-41)64(5,6)7)61-69-60(70-62(71-61)46-35-49(65(8,9)10)38-50(36-46)66(11,12)13)44-28-30-58(72-56-27-21-20-26-51(56)52-39-47(63(2,3)4)29-31-57(52)72)53(37-44)55-40-54(42-22-16-14-17-23-42)67-59(68-55)43-24-18-15-19-25-43/h14-40H,1-13H3
InChIKeyOHVARKLZTGTHSV-UHFFFAOYSA-N
MW943.30 g/mol
LogP17.26
Rot. Bonds7

About 3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole

3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole (PubChem CID 163836034) has the molecular formula C66H66N6 and a molecular weight of 943.30 g/mol. Its IUPAC name is 3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
PubChem CID163836034
Molecular FormulaC66H66N6
Molecular Weight943.30 g/mol
Exact Mass942.53
IUPAC Name3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
SMILESCc1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(C(C)(C)C)ccc54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C66H66N6/c1-41-32-45(34-48(33-41)64(5,6)7)61-69-60(70-62(71-61)46-35-49(65(8,9)10)38-50(36-46)66(11,12)13)44-28-30-58(72-56-27-21-20-26-51(56)52-39-47(63(2,3)4)29-31-57(52)72)53(37-44)55-40-54(42-22-16-14-17-23-42)67-59(68-55)43-24-18-15-19-25-43/h14-40H,1-13H3
InChIKeyOHVARKLZTGTHSV-UHFFFAOYSA-N
XLogP17.26
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.30
LogP ≤ 517.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole with MolForge

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Related Compounds

9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 139438070
9-[2,4-bis[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[2,6-bis(3,5-ditert-butylphenyl)pyrimidin-4-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole;9-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-tert-butylcarbazole
CID 159436458
3-(3,5-dimethylphenyl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 137414549
9-[2-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylphenyl]phenyl]-3,6-ditert-butylcarbazole
CID 155636636
2-tert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-tert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2,7-ditert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-ditert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158906827
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 158163646
3,6-bis(3,5-dimethylphenyl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137420940
9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 160720659
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 158497325
2-(3,5-dimethylphenyl)-9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 158772964
3-tert-butyl-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155463309
3-(3,5-dimethylphenyl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421384

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole?
The IUPAC name of 3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole (CID 163836034) is 3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole.
What is the SMILES notation for 3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole?
The canonical SMILES for 3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole is Cc1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(C(C)(C)C)ccc54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole?
The InChIKey is OHVARKLZTGTHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H66N6/c1-41-32-45(34-48(33-41)64(5,6)7)61-69-60(70-62(71-61)46-35-49(65(8,9)10)38-50(36-46)66(11,12)13)44-28-30-58(72-56-27-21-20-26-51(56)52-39-47(63(2,3)4)29-31-57(52)72)53(37-44)55-40-54(42-22-16-14-17-23-42)67-59(68-55)43-24-18-15-19-25-43/h14-40H,1-13H3.
What are the key properties of 3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole?
3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole has a molecular weight of 943.30 g/mol, XLogP of 17.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole is sourced from PubChem (CID 163836034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).