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

C64H39F3N6 — CID 138486289

IUPAC2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)c1
InChIInChI=1S/C64H39F3N6/c65-64(66,67)44-21-15-20-42(36-44)43-30-33-53(63-69-61(40-16-3-1-4-17-40)68-62(70-63)41-18-5-2-6-19-41)58(37-43)73-59-38-45(71-54-26-11-7-22-47(54)48-23-8-12-27-55(48)71)31-34-51(59)52-35-32-46(39-60(52)73)72-56-28-13-9-24-49(56)50-25-10-14-29-57(50)72/h1-39H
InChIKeyLSRDBHYVZWQARP-UHFFFAOYSA-N
MW949.05 g/mol
LogP16.85
Rot. Bonds7

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

2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 138486289) has the molecular formula C64H39F3N6 and a molecular weight of 949.05 g/mol. Its IUPAC name is 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID138486289
Molecular FormulaC64H39F3N6
Molecular Weight949.05 g/mol
Exact Mass948.32
IUPAC Name2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)c1
InChIInChI=1S/C64H39F3N6/c65-64(66,67)44-21-15-20-42(36-44)43-30-33-53(63-69-61(40-16-3-1-4-17-40)68-62(70-63)41-18-5-2-6-19-41)58(37-43)73-59-38-45(71-54-26-11-7-22-47(54)48-23-8-12-27-55(48)71)31-34-51(59)52-35-32-46(39-60(52)73)72-56-28-13-9-24-49(56)50-25-10-14-29-57(50)72/h1-39H
InChIKeyLSRDBHYVZWQARP-UHFFFAOYSA-N
XLogP16.85
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.05
LogP ≤ 516.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 156509810
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
3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
CID 138486655
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-(3-methylphenyl)carbazole
CID 138486456
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 142543888
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543967
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole
CID 138549500
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)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole
CID 138486436
2-carbazol-9-yl-9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170096976
2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486383
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 138486422

Frequently Asked Questions

What is the IUPAC name of 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 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) is 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole is FC(F)(F)c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)c1.
What is the InChIKey of 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is LSRDBHYVZWQARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39F3N6/c65-64(66,67)44-21-15-20-42(36-44)43-30-33-53(63-69-61(40-16-3-1-4-17-40)68-62(70-63)41-18-5-2-6-19-41)58(37-43)73-59-38-45(71-54-26-11-7-22-47(54)48-23-8-12-27-55(48)71)31-34-51(59)52-35-32-46(39-60(52)73)72-56-28-13-9-24-49(56)50-25-10-14-29-57(50)72/h1-39H.
What are the key properties of 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 949.05 g/mol, XLogP of 16.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 138486289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).