3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole

C56H41F3N4 — CID 138486703

IUPAC3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2ccc(-c3ccccc3C(F)(F)F)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)c1
InChIInChI=1S/C56H41F3N4/c1-34-19-24-43(36(3)29-34)40-21-27-51-47(31-40)48-32-41(44-25-20-35(2)30-37(44)4)22-28-52(48)63(51)42-23-26-45(46-17-11-12-18-50(46)56(57,58)59)49(33-42)55-61-53(38-13-7-5-8-14-38)60-54(62-55)39-15-9-6-10-16-39/h5-33H,1-4H3
InChIKeyAAUAKCMIUCEIOQ-UHFFFAOYSA-N
MW826.97 g/mol
LogP15.22
Rot. Bonds7

About 3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole

3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 138486703) has the molecular formula C56H41F3N4 and a molecular weight of 826.97 g/mol. Its IUPAC name is 3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID138486703
Molecular FormulaC56H41F3N4
Molecular Weight826.97 g/mol
Exact Mass826.33
IUPAC Name3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2ccc(-c3ccccc3C(F)(F)F)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)c1
InChIInChI=1S/C56H41F3N4/c1-34-19-24-43(36(3)29-34)40-21-27-51-47(31-40)48-32-41(44-25-20-35(2)30-37(44)4)22-28-52(48)63(51)42-23-26-45(46-17-11-12-18-50(46)56(57,58)59)49(33-42)55-61-53(38-13-7-5-8-14-38)60-54(62-55)39-15-9-6-10-16-39/h5-33H,1-4H3
InChIKeyAAUAKCMIUCEIOQ-UHFFFAOYSA-N
XLogP15.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.97
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 138486673
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 156509806
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 138486861
3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 156509847
9-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 138728932
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 138486679
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 138486817
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 162611962
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 156509734
4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 156509870
9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 162500648
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole
CID 167168633

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole (CID 138486703) is 3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2ccc(-c3ccccc3C(F)(F)F)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)c1.
What is the InChIKey of 3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is AAUAKCMIUCEIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41F3N4/c1-34-19-24-43(36(3)29-34)40-21-27-51-47(31-40)48-32-41(44-25-20-35(2)30-37(44)4)22-28-52(48)63(51)42-23-26-45(46-17-11-12-18-50(46)56(57,58)59)49(33-42)55-61-53(38-13-7-5-8-14-38)60-54(62-55)39-15-9-6-10-16-39/h5-33H,1-4H3.
What are the key properties of 3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 826.97 g/mol, XLogP of 15.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 138486703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).