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

C130H75F12N11 — CID 167055278

IUPAC3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)ccc5n6-c5c(-c6ccccc6C(F)(F)F)cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5-c5ccccc5C(F)(F)F)c4c3)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C130H75F12N11/c131-127(132,133)105-48-22-13-39-87(105)101-68-82(125-145-121(76-31-5-1-6-32-76)143-122(146-125)77-33-7-2-8-34-77)69-102(88-40-14-23-49-106(88)128(134,135)136)119(101)152-114-63-58-80(67-97(114)98-73-84(59-64-115(98)152)149-109-52-26-17-43-91(109)92-44-18-27-53-110(92)149)81-57-62-96-95-47-21-30-56-113(95)151(118(96)72-81)86-61-66-117-100(75-86)99-74-85(150-111-54-28-19-45-93(111)94-46-20-29-55-112(94)150)60-65-116(99)153(117)120-103(89-41-15-24-50-107(89)129(137,138)139)70-83(71-104(120)90-42-16-25-51-108(90)130(140,141)142)126-147-123(78-35-9-3-10-36-78)144-124(148-126)79-37-11-4-12-38-79/h1-75H
InChIKeyGRRHJXHTITYDFZ-UHFFFAOYSA-N
MW2019.08 g/mol
LogP35.95
Rot. Bonds16

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

3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 167055278) has the molecular formula C130H75F12N11 and a molecular weight of 2019.08 g/mol. Its IUPAC name is 3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID167055278
Molecular FormulaC130H75F12N11
Molecular Weight2019.08 g/mol
Exact Mass2017.60
IUPAC Name3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESFC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)ccc5n6-c5c(-c6ccccc6C(F)(F)F)cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5-c5ccccc5C(F)(F)F)c4c3)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C130H75F12N11/c131-127(132,133)105-48-22-13-39-87(105)101-68-82(125-145-121(76-31-5-1-6-32-76)143-122(146-125)77-33-7-2-8-34-77)69-102(88-40-14-23-49-106(88)128(134,135)136)119(101)152-114-63-58-80(67-97(114)98-73-84(59-64-115(98)152)149-109-52-26-17-43-91(109)92-44-18-27-53-110(92)149)81-57-62-96-95-47-21-30-56-113(95)151(118(96)72-81)86-61-66-117-100(75-86)99-74-85(150-111-54-28-19-45-93(111)94-46-20-29-55-112(94)150)60-65-116(99)153(117)120-103(89-41-15-24-50-107(89)129(137,138)139)70-83(71-104(120)90-42-16-25-51-108(90)130(140,141)142)126-147-123(78-35-9-3-10-36-78)144-124(148-126)79-37-11-4-12-38-79/h1-75H
InChIKeyGRRHJXHTITYDFZ-UHFFFAOYSA-N
XLogP35.95
TPSA101.99 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002019.08
LogP ≤ 535.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole (CID 167055278) is 3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole is FC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)ccc5n6-c5c(-c6ccccc6C(F)(F)F)cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5-c5ccccc5C(F)(F)F)c4c3)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is GRRHJXHTITYDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H75F12N11/c131-127(132,133)105-48-22-13-39-87(105)101-68-82(125-145-121(76-31-5-1-6-32-76)143-122(146-125)77-33-7-2-8-34-77)69-102(88-40-14-23-49-106(88)128(134,135)136)119(101)152-114-63-58-80(67-97(114)98-73-84(59-64-115(98)152)149-109-52-26-17-43-91(109)92-44-18-27-53-110(92)149)81-57-62-96-95-47-21-30-56-113(95)151(118(96)72-81)86-61-66-117-100(75-86)99-74-85(150-111-54-28-19-45-93(111)94-46-20-29-55-112(94)150)60-65-116(99)153(117)120-103(89-41-15-24-50-107(89)129(137,138)139)70-83(71-104(120)90-42-16-25-51-108(90)130(140,141)142)126-147-123(78-35-9-3-10-36-78)144-124(148-126)79-37-11-4-12-38-79/h1-75H.
What are the key properties of 3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole?
3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 2019.08 g/mol, XLogP of 35.95, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 167055278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).