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

C49H35F3N4 — CID 138486861

IUPAC9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5C(F)(F)F)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3c2)c(C)c1
InChIInChI=1S/C49H35F3N4/c1-30-26-31(2)45(32(3)27-30)35-22-24-40-39-19-11-13-21-43(39)56(44(40)28-35)36-23-25-37(38-18-10-12-20-42(38)49(50,51)52)41(29-36)48-54-46(33-14-6-4-7-15-33)53-47(55-48)34-16-8-5-9-17-34/h4-29H,1-3H3
InChIKeyAWTAJNOXGJIEHJ-UHFFFAOYSA-N
MW736.84 g/mol
LogP13.25
Rot. Bonds6

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

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole (PubChem CID 138486861) has the molecular formula C49H35F3N4 and a molecular weight of 736.84 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

Compound Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole
PubChem CID138486861
Molecular FormulaC49H35F3N4
Molecular Weight736.84 g/mol
Exact Mass736.28
IUPAC Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5C(F)(F)F)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3c2)c(C)c1
InChIInChI=1S/C49H35F3N4/c1-30-26-31(2)45(32(3)27-30)35-22-24-40-39-19-11-13-21-43(39)56(44(40)28-35)36-23-25-37(38-18-10-12-20-42(38)49(50,51)52)41(29-36)48-54-46(33-14-6-4-7-15-33)53-47(55-48)34-16-8-5-9-17-34/h4-29H,1-3H3
InChIKeyAWTAJNOXGJIEHJ-UHFFFAOYSA-N
XLogP13.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.84
LogP ≤ 513.25
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]-2,7-diphenylcarbazole
CID 138486679
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
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 138486673
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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 156509806
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
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 156509734
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
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
3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 167055278
9-[3-[2,4-bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 166669944
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 146179751

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole?
The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole (CID 138486861) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole.
What is the SMILES notation for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole?
The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5C(F)(F)F)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3c2)c(C)c1.
What is the InChIKey of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole?
The InChIKey is AWTAJNOXGJIEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35F3N4/c1-30-26-31(2)45(32(3)27-30)35-22-24-40-39-19-11-13-21-43(39)56(44(40)28-35)36-23-25-37(38-18-10-12-20-42(38)49(50,51)52)41(29-36)48-54-46(33-14-6-4-7-15-33)53-47(55-48)34-16-8-5-9-17-34/h4-29H,1-3H3.
What are the key properties of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole?
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 736.84 g/mol, XLogP of 13.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 138486861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).