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

C59H44F6N4 — CID 162611765

IUPAC9-[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
SMILESCc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4)c3c2)c(C)c1
InChIInChI=1S/C59H44F6N4/c1-33-23-35(3)53(36(4)24-33)41-17-20-47-48-21-18-42(54-37(5)25-34(2)26-38(54)6)30-52(48)69(51(47)29-41)46-19-22-49(50(32-46)43-27-44(58(60,61)62)31-45(28-43)59(63,64)65)57-67-55(39-13-9-7-10-14-39)66-56(68-57)40-15-11-8-12-16-40/h7-32H,1-6H3
InChIKeyALOQKICHEMGDDS-UHFFFAOYSA-N
MW923.02 g/mol
LogP16.86
Rot. Bonds7

About 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

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 (PubChem CID 162611765) has the molecular formula C59H44F6N4 and a molecular weight of 923.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID162611765
Molecular FormulaC59H44F6N4
Molecular Weight923.02 g/mol
Exact Mass922.35
IUPAC Name9-[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
SMILESCc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4)c3c2)c(C)c1
InChIInChI=1S/C59H44F6N4/c1-33-23-35(3)53(36(4)24-33)41-17-20-47-48-21-18-42(54-37(5)25-34(2)26-38(54)6)30-52(48)69(51(47)29-41)46-19-22-49(50(32-46)43-27-44(58(60,61)62)31-45(28-43)59(63,64)65)57-67-55(39-13-9-7-10-14-39)66-56(68-57)40-15-11-8-12-16-40/h7-32H,1-6H3
InChIKeyALOQKICHEMGDDS-UHFFFAOYSA-N
XLogP16.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.02
LogP ≤ 516.86
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-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 138486817
9-[3-[3,5-bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 162611705
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 138486861
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
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-[4-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 142543846
9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 162611758
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
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole
CID 146179587
9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 156511377
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole
CID 138486436

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4)c3c2)c(C)c1.
What is the InChIKey of 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?
The InChIKey is ALOQKICHEMGDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44F6N4/c1-33-23-35(3)53(36(4)24-33)41-17-20-47-48-21-18-42(54-37(5)25-34(2)26-38(54)6)30-52(48)69(51(47)29-41)46-19-22-49(50(32-46)43-27-44(58(60,61)62)31-45(28-43)59(63,64)65)57-67-55(39-13-9-7-10-14-39)66-56(68-57)40-15-11-8-12-16-40/h7-32H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 923.02 g/mol, XLogP of 16.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162611765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).