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

C100H60F3N9 — CID 169059872

IUPAC3,6-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
SMILESFC(F)(F)c1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C100H60F3N9/c101-100(102,103)96-68(36-23-45-94(96)111-90-52-47-64(107-82-37-15-7-28-69(82)70-29-8-16-38-83(70)107)57-78(90)79-58-65(48-53-91(79)111)108-84-39-17-9-30-71(84)72-31-10-18-40-85(72)108)63-46-51-77(99-105-97(61-24-3-1-4-25-61)104-98(106-99)62-26-5-2-6-27-62)95(56-63)112-92-54-49-66(109-86-41-19-11-32-73(86)74-33-12-20-42-87(74)109)59-80(92)81-60-67(50-55-93(81)112)110-88-43-21-13-34-75(88)76-35-14-22-44-89(76)110/h1-60H
InChIKeySDYSZSKLZPEACP-UHFFFAOYSA-N
MW1444.64 g/mol
LogP26.14
Rot. Bonds10

About 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

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 (PubChem CID 169059872) has the molecular formula C100H60F3N9 and a molecular weight of 1444.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,6-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
PubChem CID169059872
Molecular FormulaC100H60F3N9
Molecular Weight1444.64 g/mol
Exact Mass1443.49
IUPAC Name3,6-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
SMILESFC(F)(F)c1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C100H60F3N9/c101-100(102,103)96-68(36-23-45-94(96)111-90-52-47-64(107-82-37-15-7-28-69(82)70-29-8-16-38-83(70)107)57-78(90)79-58-65(48-53-91(79)111)108-84-39-17-9-30-71(84)72-31-10-18-40-85(72)108)63-46-51-77(99-105-97(61-24-3-1-4-25-61)104-98(106-99)62-26-5-2-6-27-62)95(56-63)112-92-54-49-66(109-86-41-19-11-32-73(86)74-33-12-20-42-87(74)109)59-80(92)81-60-67(50-55-93(81)112)110-88-43-21-13-34-75(88)76-35-14-22-44-89(76)110/h1-60H
InChIKeySDYSZSKLZPEACP-UHFFFAOYSA-N
XLogP26.14
TPSA68.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001444.64
LogP ≤ 526.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

9-[3-[5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
CID 169059849
9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 169060017
2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 169059867
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142597402
3-carbazol-9-yl-9-[5-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138565341
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
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
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-5-(trifluoromethyl)phenyl]-3-phenylcarbazole
CID 161243384
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
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-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211412
3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 156509847

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)c1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 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?
The InChIKey is SDYSZSKLZPEACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H60F3N9/c101-100(102,103)96-68(36-23-45-94(96)111-90-52-47-64(107-82-37-15-7-28-69(82)70-29-8-16-38-83(70)107)57-78(90)79-58-65(48-53-91(79)111)108-84-39-17-9-30-71(84)72-31-10-18-40-85(72)108)63-46-51-77(99-105-97(61-24-3-1-4-25-61)104-98(106-99)62-26-5-2-6-27-62)95(56-63)112-92-54-49-66(109-86-41-19-11-32-73(86)74-33-12-20-42-87(74)109)59-80(92)81-60-67(50-55-93(81)112)110-88-43-21-13-34-75(88)76-35-14-22-44-89(76)110/h1-60H.
What are the key properties of 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?
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 has a molecular weight of 1444.64 g/mol, XLogP of 26.14, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169059872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).