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

C100H60F3N9 — CID 138554833

IUPAC2,6-di(carbazol-9-yl)-9-[2-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c(-c2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C100H60F3N9/c101-100(102,103)63-43-51-94(112-95-54-48-65(107-84-35-15-7-27-69(84)70-28-8-16-36-85(70)107)57-81(95)77-49-44-68(60-96(77)112)111-90-41-21-13-33-75(90)76-34-14-22-42-91(76)111)80(55-63)79-56-64(45-50-78(79)99-105-97(61-23-3-1-4-24-61)104-98(106-99)62-25-5-2-6-26-62)110-92-52-46-66(108-86-37-17-9-29-71(86)72-30-10-18-38-87(72)108)58-82(92)83-59-67(47-53-93(83)110)109-88-39-19-11-31-73(88)74-32-12-20-40-89(74)109/h1-60H
InChIKeyAOYXWFAQBGQMDC-UHFFFAOYSA-N
MW1444.64 g/mol
LogP26.14
Rot. Bonds10

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

2,6-di(carbazol-9-yl)-9-[2-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole (PubChem CID 138554833) has the molecular formula C100H60F3N9 and a molecular weight of 1444.64 g/mol. Its IUPAC name is 2,6-di(carbazol-9-yl)-9-[2-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name2,6-di(carbazol-9-yl)-9-[2-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
PubChem CID138554833
Molecular FormulaC100H60F3N9
Molecular Weight1444.64 g/mol
Exact Mass1443.49
IUPAC Name2,6-di(carbazol-9-yl)-9-[2-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c(-c2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C100H60F3N9/c101-100(102,103)63-43-51-94(112-95-54-48-65(107-84-35-15-7-27-69(84)70-28-8-16-36-85(70)107)57-81(95)77-49-44-68(60-96(77)112)111-90-41-21-13-33-75(90)76-34-14-22-42-91(76)111)80(55-63)79-56-64(45-50-78(79)99-105-97(61-23-3-1-4-24-61)104-98(106-99)62-25-5-2-6-26-62)110-92-52-46-66(108-86-37-17-9-29-71(86)72-30-10-18-38-87(72)108)58-82(92)83-59-67(47-53-93(83)110)109-88-39-19-11-31-73(88)74-32-12-20-40-89(74)109/h1-60H
InChIKeyAOYXWFAQBGQMDC-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 2,6-di(carbazol-9-yl)-9-[2-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(carbazol-9-yl)-9-[2-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 2,6-di(carbazol-9-yl)-9-[2-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole (CID 138554833) is 2,6-di(carbazol-9-yl)-9-[2-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 2,6-di(carbazol-9-yl)-9-[2-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 2,6-di(carbazol-9-yl)-9-[2-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c(-c2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 2,6-di(carbazol-9-yl)-9-[2-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The InChIKey is AOYXWFAQBGQMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H60F3N9/c101-100(102,103)63-43-51-94(112-95-54-48-65(107-84-35-15-7-27-69(84)70-28-8-16-36-85(70)107)57-81(95)77-49-44-68(60-96(77)112)111-90-41-21-13-33-75(90)76-34-14-22-42-91(76)111)80(55-63)79-56-64(45-50-78(79)99-105-97(61-23-3-1-4-24-61)104-98(106-99)62-25-5-2-6-26-62)110-92-52-46-66(108-86-37-17-9-29-71(86)72-30-10-18-38-87(72)108)58-82(92)83-59-67(47-53-93(83)110)109-88-39-19-11-31-73(88)74-32-12-20-40-89(74)109/h1-60H.
What are the key properties of 2,6-di(carbazol-9-yl)-9-[2-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole?
2,6-di(carbazol-9-yl)-9-[2-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(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 2,6-di(carbazol-9-yl)-9-[2-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 138554833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).