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

C52H36F3N9 — CID 155216705

IUPAC2-(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
SMILESCc1nc(C)nc(-c2ccc3c4ccccc4n(-c4cc(C(F)(F)F)cc(-n5c6ccccc6c6ccc(-c7nc(C)nc(C)n7)cc65)c4-c4cccc(-c5ccccc5)n4)c3c2)n1
InChIInChI=1S/C52H36F3N9/c1-29-56-30(2)59-50(58-29)34-21-23-39-37-15-8-10-19-43(37)63(45(39)25-34)47-27-36(52(53,54)55)28-48(49(47)42-18-12-17-41(62-42)33-13-6-5-7-14-33)64-44-20-11-9-16-38(44)40-24-22-35(26-46(40)64)51-60-31(3)57-32(4)61-51/h5-28H,1-4H3
InChIKeyQZCCMKJPRDLACH-UHFFFAOYSA-N
MW843.92 g/mol
LogP12.57
Rot. Bonds6

About 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

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 (PubChem CID 155216705) has the molecular formula C52H36F3N9 and a molecular weight of 843.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID155216705
Molecular FormulaC52H36F3N9
Molecular Weight843.92 g/mol
Exact Mass843.30
IUPAC Name2-(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
SMILESCc1nc(C)nc(-c2ccc3c4ccccc4n(-c4cc(C(F)(F)F)cc(-n5c6ccccc6c6ccc(-c7nc(C)nc(C)n7)cc65)c4-c4cccc(-c5ccccc5)n4)c3c2)n1
InChIInChI=1S/C52H36F3N9/c1-29-56-30(2)59-50(58-29)34-21-23-39-37-15-8-10-19-43(37)63(45(39)25-34)47-27-36(52(53,54)55)28-48(49(47)42-18-12-17-41(62-42)33-13-6-5-7-14-33)64-44-20-11-9-16-38(44)40-24-22-35(26-46(40)64)51-60-31(3)57-32(4)61-51/h5-28H,1-4H3
InChIKeyQZCCMKJPRDLACH-UHFFFAOYSA-N
XLogP12.57
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.92
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole
CID 155216454
5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155216668
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
9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(3,5-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;sulfane
CID 158090370
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
4-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134300604
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
3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295696
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
2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142501945
3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 161450960
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155462556

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C)nc(-c2ccc3c4ccccc4n(-c4cc(C(F)(F)F)cc(-n5c6ccccc6c6ccc(-c7nc(C)nc(C)n7)cc65)c4-c4cccc(-c5ccccc5)n4)c3c2)n1.
What is the InChIKey of 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?
The InChIKey is QZCCMKJPRDLACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36F3N9/c1-29-56-30(2)59-50(58-29)34-21-23-39-37-15-8-10-19-43(37)63(45(39)25-34)47-27-36(52(53,54)55)28-48(49(47)42-18-12-17-41(62-42)33-13-6-5-7-14-33)64-44-20-11-9-16-38(44)40-24-22-35(26-46(40)64)51-60-31(3)57-32(4)61-51/h5-28H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 843.92 g/mol, XLogP of 12.57, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155216705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).