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

C100H60F3N9 — CID 138554547

IUPAC3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C100H60F3N9/c101-100(102,103)80-38-24-48-94(112-91-55-51-65(109-85-43-19-11-33-71(85)72-34-12-20-44-86(72)109)59-78(91)79-60-66(52-56-92(79)112)110-87-45-21-13-35-73(87)74-36-14-22-46-88(74)110)96(80)95-75(99-105-97(61-25-3-1-4-26-61)104-98(106-99)62-27-5-2-6-28-62)37-23-47-93(95)111-89-53-49-63(107-81-39-15-7-29-67(81)68-30-8-16-40-82(68)107)57-76(89)77-58-64(50-54-90(77)111)108-83-41-17-9-31-69(83)70-32-10-18-42-84(70)108/h1-60H
InChIKeyAPGBTAQMPPEIOB-UHFFFAOYSA-N
MW1444.64 g/mol
LogP26.14
Rot. Bonds10

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

3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]carbazole (PubChem CID 138554547) 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-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]carbazole
PubChem CID138554547
Molecular FormulaC100H60F3N9
Molecular Weight1444.64 g/mol
Exact Mass1443.49
IUPAC Name3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C100H60F3N9/c101-100(102,103)80-38-24-48-94(112-91-55-51-65(109-85-43-19-11-33-71(85)72-34-12-20-44-86(72)109)59-78(91)79-60-66(52-56-92(79)112)110-87-45-21-13-35-73(87)74-36-14-22-46-88(74)110)96(80)95-75(99-105-97(61-25-3-1-4-26-61)104-98(106-99)62-27-5-2-6-28-62)37-23-47-93(95)111-89-53-49-63(107-81-39-15-7-29-67(81)68-30-8-16-40-82(68)107)57-76(89)77-58-64(50-54-90(77)111)108-83-41-17-9-31-69(83)70-32-10-18-42-84(70)108/h1-60H
InChIKeyAPGBTAQMPPEIOB-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-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]carbazole (CID 138554547) is 3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]carbazole?
The InChIKey is APGBTAQMPPEIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H60F3N9/c101-100(102,103)80-38-24-48-94(112-91-55-51-65(109-85-43-19-11-33-71(85)72-34-12-20-44-86(72)109)59-78(91)79-60-66(52-56-92(79)112)110-87-45-21-13-35-73(87)74-36-14-22-46-88(74)110)96(80)95-75(99-105-97(61-25-3-1-4-26-61)104-98(106-99)62-27-5-2-6-28-62)37-23-47-93(95)111-89-53-49-63(107-81-39-15-7-29-67(81)68-30-8-16-40-82(68)107)57-76(89)77-58-64(50-54-90(77)111)108-83-41-17-9-31-69(83)70-32-10-18-42-84(70)108/h1-60H.
What are the key properties of 3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]carbazole?
3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(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-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 138554547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).