2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole

C51H35F6N5 — CID 162052120

IUPAC2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole
SMILESCc1ccc(-n2c3cc(C)ccc3c3ccc(C(F)(F)F)cc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C)ccc3-n3c4cc(C)ccc4c4ccc(C(F)(F)F)cc43)n2)c1
InChIInChI=1S/C51H35F6N5/c1-28-12-20-41(61-43-24-30(3)10-16-35(43)37-18-14-33(26-45(37)61)50(52,53)54)39(22-28)48-58-47(32-8-6-5-7-9-32)59-49(60-48)40-23-29(2)13-21-42(40)62-44-25-31(4)11-17-36(44)38-19-15-34(27-46(38)62)51(55,56)57/h5-27H,1-4H3
InChIKeyPHFPTXLJDYZZKO-UHFFFAOYSA-N
MW831.86 g/mol
LogP14.34
Rot. Bonds5

About 2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole

2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole (PubChem CID 162052120) has the molecular formula C51H35F6N5 and a molecular weight of 831.86 g/mol. Its IUPAC name is 2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole
PubChem CID162052120
Molecular FormulaC51H35F6N5
Molecular Weight831.86 g/mol
Exact Mass831.28
IUPAC Name2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole
SMILESCc1ccc(-n2c3cc(C)ccc3c3ccc(C(F)(F)F)cc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C)ccc3-n3c4cc(C)ccc4c4ccc(C(F)(F)F)cc43)n2)c1
InChIInChI=1S/C51H35F6N5/c1-28-12-20-41(61-43-24-30(3)10-16-35(43)37-18-14-33(26-45(37)61)50(52,53)54)39(22-28)48-58-47(32-8-6-5-7-9-32)59-49(60-48)40-23-29(2)13-21-42(40)62-44-25-31(4)11-17-36(44)38-19-15-34(27-46(38)62)51(55,56)57/h5-27H,1-4H3
InChIKeyPHFPTXLJDYZZKO-UHFFFAOYSA-N
XLogP14.34
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.86
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole with MolForge

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Related Compounds

9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole
CID 159135783
9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 138712829
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
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 160692189
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole
CID 137414604
3-[4-[5-cyano-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 159701387
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
CID 137414730
9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
CID 138554635
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-ditert-butylcarbazole
CID 137414629
9-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole
CID 138565827
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-(trifluoromethyl)carbazole
CID 162573022
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 163662138

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole?
The IUPAC name of 2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole (CID 162052120) is 2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole.
What is the SMILES notation for 2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole?
The canonical SMILES for 2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole is Cc1ccc(-n2c3cc(C)ccc3c3ccc(C(F)(F)F)cc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C)ccc3-n3c4cc(C)ccc4c4ccc(C(F)(F)F)cc43)n2)c1.
What is the InChIKey of 2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole?
The InChIKey is PHFPTXLJDYZZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35F6N5/c1-28-12-20-41(61-43-24-30(3)10-16-35(43)37-18-14-33(26-45(37)61)50(52,53)54)39(22-28)48-58-47(32-8-6-5-7-9-32)59-49(60-48)40-23-29(2)13-21-42(40)62-44-25-31(4)11-17-36(44)38-19-15-34(27-46(38)62)51(55,56)57/h5-27H,1-4H3.
What are the key properties of 2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole?
2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole has a molecular weight of 831.86 g/mol, XLogP of 14.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole is sourced from PubChem (CID 162052120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).