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

C67H39F5N8 — CID 147018720

IUPAC9-[4-(2,6-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESFc1cccc(F)c1-c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(C(F)(F)F)c1-n1c2ccccc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C67H39F5N8/c68-51-28-17-29-52(69)58(51)48-34-37-57(79-53-30-15-13-26-46(53)49-38-44(32-35-55(49)79)65-75-61(40-18-5-1-6-19-40)73-62(76-65)41-20-7-2-8-21-41)59(67(70,71)72)60(48)80-54-31-16-14-27-47(54)50-39-45(33-36-56(50)80)66-77-63(42-22-9-3-10-23-42)74-64(78-66)43-24-11-4-12-25-43/h1-39H
InChIKeyAVHBVPUXKYUCSG-UHFFFAOYSA-N
MW1051.10 g/mol
LogP17.22
Rot. Bonds9

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

9-[4-(2,6-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 147018720) has the molecular formula C67H39F5N8 and a molecular weight of 1051.10 g/mol. Its IUPAC name is 9-[4-(2,6-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-[4-(2,6-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID147018720
Molecular FormulaC67H39F5N8
Molecular Weight1051.10 g/mol
Exact Mass1050.32
IUPAC Name9-[4-(2,6-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESFc1cccc(F)c1-c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(C(F)(F)F)c1-n1c2ccccc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C67H39F5N8/c68-51-28-17-29-52(69)58(51)48-34-37-57(79-53-30-15-13-26-46(53)49-38-44(32-35-55(49)79)65-75-61(40-18-5-1-6-19-40)73-62(76-65)41-20-7-2-8-21-41)59(67(70,71)72)60(48)80-54-31-16-14-27-47(54)50-39-45(33-36-56(50)80)66-77-63(42-22-9-3-10-23-42)74-64(78-66)43-24-11-4-12-25-43/h1-39H
InChIKeyAVHBVPUXKYUCSG-UHFFFAOYSA-N
XLogP17.22
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001051.10
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

9-[3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 169059962
3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138566204
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 138554386
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142501854
9-[2-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]carbazole
CID 169059900
9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole
CID 154960852
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]-3-(3-methylphenyl)carbazole
CID 138554822
9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 169059921
5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 142465726
3,6-di(carbazol-9-yl)-9-[3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
CID 169059872
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)-6-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 138554678
3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile
CID 155377839

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-[4-(2,6-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 147018720) is 9-[4-(2,6-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-[4-(2,6-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-[4-(2,6-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is Fc1cccc(F)c1-c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(C(F)(F)F)c1-n1c2ccccc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 9-[4-(2,6-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is AVHBVPUXKYUCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H39F5N8/c68-51-28-17-29-52(69)58(51)48-34-37-57(79-53-30-15-13-26-46(53)49-38-44(32-35-55(49)79)65-75-61(40-18-5-1-6-19-40)73-62(76-65)41-20-7-2-8-21-41)59(67(70,71)72)60(48)80-54-31-16-14-27-47(54)50-39-45(33-36-56(50)80)66-77-63(42-22-9-3-10-23-42)74-64(78-66)43-24-11-4-12-25-43/h1-39H.
What are the key properties of 9-[4-(2,6-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
9-[4-(2,6-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 1051.10 g/mol, XLogP of 17.22, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,6-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 147018720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).