2,7-bis(3,5-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole

C56H41F3N4 — CID 138486570

IUPAC2,7-bis(3,5-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4ccc(-c5cccc(C(F)(F)F)c5)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3c2)c1
InChIInChI=1S/C56H41F3N4/c1-34-24-35(2)27-43(26-34)40-18-21-48-49-22-19-41(44-28-36(3)25-37(4)29-44)32-52(49)63(51(48)31-40)46-20-23-47(42-16-11-17-45(30-42)56(57,58)59)50(33-46)55-61-53(38-12-7-5-8-13-38)60-54(62-55)39-14-9-6-10-15-39/h5-33H,1-4H3
InChIKeyUKZATPJSXHDANC-UHFFFAOYSA-N
MW826.97 g/mol
LogP15.22
Rot. Bonds7

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

2,7-bis(3,5-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 138486570) has the molecular formula C56H41F3N4 and a molecular weight of 826.97 g/mol. Its IUPAC name is 2,7-bis(3,5-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2,7-bis(3,5-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID138486570
Molecular FormulaC56H41F3N4
Molecular Weight826.97 g/mol
Exact Mass826.33
IUPAC Name2,7-bis(3,5-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4ccc(-c5cccc(C(F)(F)F)c5)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3c2)c1
InChIInChI=1S/C56H41F3N4/c1-34-24-35(2)27-43(26-34)40-18-21-48-49-22-19-41(44-28-36(3)25-37(4)29-44)32-52(49)63(51(48)31-40)46-20-23-47(42-16-11-17-45(30-42)56(57,58)59)50(33-46)55-61-53(38-12-7-5-8-13-38)60-54(62-55)39-14-9-6-10-15-39/h5-33H,1-4H3
InChIKeyUKZATPJSXHDANC-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-[3-(trifluoromethyl)phenyl]phenyl]-2-(3-methylphenyl)carbazole
CID 138486456
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole
CID 138486436
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543967
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 142543846
2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 156509810
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 156509854
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486289
9-[3-[3,5-bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole
CID 162611765
4-[6-(4-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 147403621
2-[3,5-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486398
5-[6-(3-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-[7-(2-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
CID 156509761
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 162611962

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(3,5-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 2,7-bis(3,5-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole (CID 138486570) is 2,7-bis(3,5-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2,7-bis(3,5-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 2,7-bis(3,5-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole is Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4ccc(-c5cccc(C(F)(F)F)c5)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3c2)c1.
What is the InChIKey of 2,7-bis(3,5-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is UKZATPJSXHDANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41F3N4/c1-34-24-35(2)27-43(26-34)40-18-21-48-49-22-19-41(44-28-36(3)25-37(4)29-44)32-52(49)63(51(48)31-40)46-20-23-47(42-16-11-17-45(30-42)56(57,58)59)50(33-46)55-61-53(38-12-7-5-8-13-38)60-54(62-55)39-14-9-6-10-15-39/h5-33H,1-4H3.
What are the key properties of 2,7-bis(3,5-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
2,7-bis(3,5-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(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 2,7-bis(3,5-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 138486570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).