2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole

C46H34F3N11 — CID 134321401

IUPAC2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole
SMILESCc1nc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c2)n1
InChIInChI=1S/C46H34F3N11/c1-23-50-24(2)54-43(53-23)29-15-17-34-32-11-7-9-13-36(32)59(38(34)19-29)40-21-31(45-57-27(5)52-28(6)58-45)22-41(42(40)46(47,48)49)60-37-14-10-8-12-33(37)35-18-16-30(20-39(35)60)44-55-25(3)51-26(4)56-44/h7-22H,1-6H3
InChIKeyMTOWLGRZHLLIGD-UHFFFAOYSA-N
MW797.85 g/mol
LogP10.31
Rot. Bonds5

About 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole

2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole (PubChem CID 134321401) has the molecular formula C46H34F3N11 and a molecular weight of 797.85 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole
PubChem CID134321401
Molecular FormulaC46H34F3N11
Molecular Weight797.85 g/mol
Exact Mass797.30
IUPAC Name2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole
SMILESCc1nc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c2)n1
InChIInChI=1S/C46H34F3N11/c1-23-50-24(2)54-43(53-23)29-15-17-34-32-11-7-9-13-36(32)59(38(34)19-29)40-21-31(45-57-27(5)52-28(6)58-45)22-41(42(40)46(47,48)49)60-37-14-10-8-12-33(37)35-18-16-30(20-39(35)60)44-55-25(3)51-26(4)56-44/h7-22H,1-6H3
InChIKeyMTOWLGRZHLLIGD-UHFFFAOYSA-N
XLogP10.31
TPSA125.87 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500797.85
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole with MolForge

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Related Compounds

9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
CID 134321059
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134508031
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486662
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole
CID 155216705
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 159749477
4-(4,6-dimethylpyrimidin-2-yl)-2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 155217685
2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134293067
3-[4,5-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 155377610
9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbazole
CID 139419692
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142501854
4-[4-cyano-2-(trifluoromethyl)phenyl]-3,5-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 142414332
3,5-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729643

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole (CID 134321401) is 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole is Cc1nc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c2)n1.
What is the InChIKey of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole?
The InChIKey is MTOWLGRZHLLIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34F3N11/c1-23-50-24(2)54-43(53-23)29-15-17-34-32-11-7-9-13-36(32)59(38(34)19-29)40-21-31(45-57-27(5)52-28(6)58-45)22-41(42(40)46(47,48)49)60-37-14-10-8-12-33(37)35-18-16-30(20-39(35)60)44-55-25(3)51-26(4)56-44/h7-22H,1-6H3.
What are the key properties of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole?
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole has a molecular weight of 797.85 g/mol, XLogP of 10.31, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 134321401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).