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

C41H22F8N4 — CID 138565828

IUPAC9-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
SMILESFc1cccc(-c2ccc(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1F
InChIInChI=1S/C41H22F8N4/c42-32-13-7-12-28(36(32)43)25-14-17-35(31(20-25)39-51-37(23-8-3-1-4-9-23)50-38(52-39)24-10-5-2-6-11-24)53-33-18-15-26(40(44,45)46)21-29(33)30-22-27(41(47,48)49)16-19-34(30)53/h1-22H
InChIKeyFUNHIXFRSOVFOQ-UHFFFAOYSA-N
MW722.64 g/mol
LogP11.95
Rot. Bonds5

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

9-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 138565828) has the molecular formula C41H22F8N4 and a molecular weight of 722.64 g/mol. Its IUPAC name is 9-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
PubChem CID138565828
Molecular FormulaC41H22F8N4
Molecular Weight722.64 g/mol
Exact Mass722.17
IUPAC Name9-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
SMILESFc1cccc(-c2ccc(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1F
InChIInChI=1S/C41H22F8N4/c42-32-13-7-12-28(36(32)43)25-14-17-35(31(20-25)39-51-37(23-8-3-1-4-9-23)50-38(52-39)24-10-5-2-6-11-24)53-33-18-15-26(40(44,45)46)21-29(33)30-22-27(41(47,48)49)16-19-34(30)53/h1-22H
InChIKeyFUNHIXFRSOVFOQ-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-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole
CID 138565827
9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 138712829
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 163662138
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 160692189
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 142543888
3,6-ditert-butyl-9-[4-(2,6-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 153459784
9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 138554702
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 155462877
3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 155232340
9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 138554301
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole
CID 138554823
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]carbazole
CID 138549530

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole (CID 138565828) is 9-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole is Fc1cccc(-c2ccc(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1F.
What is the InChIKey of 9-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The InChIKey is FUNHIXFRSOVFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H22F8N4/c42-32-13-7-12-28(36(32)43)25-14-17-35(31(20-25)39-51-37(23-8-3-1-4-9-23)50-38(52-39)24-10-5-2-6-11-24)53-33-18-15-26(40(44,45)46)21-29(33)30-22-27(41(47,48)49)16-19-34(30)53/h1-22H.
What are the key properties of 9-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
9-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-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-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 138565828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).