3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole

C85H51F3N6 — CID 167107992

IUPAC3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C85H51F3N6/c86-85(87,88)53-25-23-24-52(50-53)79-80(90-69-39-14-3-28-57(69)58-29-4-15-40-70(58)90)82(92-73-43-18-7-32-61(73)62-33-8-19-44-74(62)92)84(94-77-47-22-11-36-65(77)66-51-54(48-49-78(66)94)89-67-37-12-1-26-55(67)56-27-2-13-38-68(56)89)83(93-75-45-20-9-34-63(75)64-35-10-21-46-76(64)93)81(79)91-71-41-16-5-30-59(71)60-31-6-17-42-72(60)91/h1-51H
InChIKeyAMVRZJPYAKJQBQ-UHFFFAOYSA-N
MW1213.38 g/mol
LogP22.95
Rot. Bonds7

About 3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole

3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 167107992) has the molecular formula C85H51F3N6 and a molecular weight of 1213.38 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID167107992
Molecular FormulaC85H51F3N6
Molecular Weight1213.38 g/mol
Exact Mass1212.41
IUPAC Name3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C85H51F3N6/c86-85(87,88)53-25-23-24-52(50-53)79-80(90-69-39-14-3-28-57(69)58-29-4-15-40-70(58)90)82(92-73-43-18-7-32-61(73)62-33-8-19-44-74(62)92)84(94-77-47-22-11-36-65(77)66-51-54(48-49-78(66)94)89-67-37-12-1-26-55(67)56-27-2-13-38-68(56)89)83(93-75-45-20-9-34-63(75)64-35-10-21-46-76(64)93)81(79)91-71-41-16-5-30-59(71)60-31-6-17-42-72(60)91/h1-51H
InChIKeyAMVRZJPYAKJQBQ-UHFFFAOYSA-N
XLogP22.95
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.38
LogP ≤ 522.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 167107982
9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58163316
3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167107984
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543967
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[3-(trifluoromethyl)phenyl]anthracen-2-amine
CID 59211087
4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
CID 155138269
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 156509854
12-[3-tert-butyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-c]carbazole
CID 139553137
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
2,6-bis[3-(trifluoromethyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162571728
3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole
CID 134343654
3,5-di(carbazol-9-yl)-4-[3-(2,2-dimethylpropyl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 153496727

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole (CID 167107992) is 3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole is FC(F)(F)c1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is AMVRZJPYAKJQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H51F3N6/c86-85(87,88)53-25-23-24-52(50-53)79-80(90-69-39-14-3-28-57(69)58-29-4-15-40-70(58)90)82(92-73-43-18-7-32-61(73)62-33-8-19-44-74(62)92)84(94-77-47-22-11-36-65(77)66-51-54(48-49-78(66)94)89-67-37-12-1-26-55(67)56-27-2-13-38-68(56)89)83(93-75-45-20-9-34-63(75)64-35-10-21-46-76(64)93)81(79)91-71-41-16-5-30-59(71)60-31-6-17-42-72(60)91/h1-51H.
What are the key properties of 3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 1213.38 g/mol, XLogP of 22.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 167107992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).