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

C41H22F8N4 — CID 138565727

IUPAC9-[3-(2,4-difluorophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole
SMILESFc1ccc(-c2cc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C41H22F8N4/c42-27-13-17-29(34(43)21-27)33-22-28(53-35-19-25(40(44,45)46)11-15-30(35)31-16-12-26(20-36(31)53)41(47,48)49)14-18-32(33)39-51-37(23-7-3-1-4-8-23)50-38(52-39)24-9-5-2-6-10-24/h1-22H
InChIKeyDRNGJQFKHSHUIQ-UHFFFAOYSA-N
MW722.64 g/mol
LogP11.95
Rot. Bonds5

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

9-[3-(2,4-difluorophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole (PubChem CID 138565727) has the molecular formula C41H22F8N4 and a molecular weight of 722.64 g/mol. Its IUPAC name is 9-[3-(2,4-difluorophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[3-(2,4-difluorophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole
PubChem CID138565727
Molecular FormulaC41H22F8N4
Molecular Weight722.64 g/mol
Exact Mass722.17
IUPAC Name9-[3-(2,4-difluorophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole
SMILESFc1ccc(-c2cc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C41H22F8N4/c42-27-13-17-29(34(43)21-27)33-22-28(53-35-19-25(40(44,45)46)11-15-30(35)31-16-12-26(20-36(31)53)41(47,48)49)14-18-32(33)39-51-37(23-7-3-1-4-8-23)50-38(52-39)24-9-5-2-6-10-24/h1-22H
InChIKeyDRNGJQFKHSHUIQ-UHFFFAOYSA-N
XLogP11.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.64
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(2,4-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
CID 138565422
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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 138549660
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]-3-(trifluoromethyl)carbazole
CID 138549656
2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole
CID 138549741
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole
CID 156509710
2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2,4-difluorophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138565668
9-[3-[2,4-bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole
CID 162611736
5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 138554841
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 156509734
2-tert-butyl-9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138565680

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2,4-difluorophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[3-(2,4-difluorophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole (CID 138565727) is 9-[3-(2,4-difluorophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[3-(2,4-difluorophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[3-(2,4-difluorophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole is Fc1ccc(-c2cc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(F)c1.
What is the InChIKey of 9-[3-(2,4-difluorophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole?
The InChIKey is DRNGJQFKHSHUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H22F8N4/c42-27-13-17-29(34(43)21-27)33-22-28(53-35-19-25(40(44,45)46)11-15-30(35)31-16-12-26(20-36(31)53)41(47,48)49)14-18-32(33)39-51-37(23-7-3-1-4-8-23)50-38(52-39)24-9-5-2-6-10-24/h1-22H.
What are the key properties of 9-[3-(2,4-difluorophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole?
9-[3-(2,4-difluorophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole has a molecular weight of 722.64 g/mol, XLogP of 11.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2,4-difluorophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 138565727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).