9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-[4-[3-[[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole

C110H74F6N10 — CID 138554808

IUPAC9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-[4-[3-[[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(C(F)(F)F)cc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(Cc3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccc(C)cc7c7cc(C)ccc76)c(-c6cc(C(F)(F)F)ccc6-n6c7ccc(C)cc7c7cc(C)ccc76)c5)n4)c3)ccc21
InChIInChI=1S/C110H74F6N10/c1-64-32-42-93-81(52-64)79-28-15-17-30-91(79)123(93)101-50-40-77(109(111,112)113)62-89(101)87-60-75(107-119-103(71-21-9-6-10-22-71)117-104(120-107)72-23-11-7-12-24-72)38-48-99(87)124-92-31-18-16-29-80(92)86-59-70(37-47-98(86)124)57-69-20-19-27-74(58-69)106-118-105(73-25-13-8-14-26-73)121-108(122-106)76-39-49-100(125-94-43-33-65(2)53-82(94)83-54-66(3)34-44-95(83)125)88(61-76)90-63-78(110(114,115)116)41-51-102(90)126-96-45-35-67(4)55-84(96)85-56-68(5)36-46-97(85)126/h6-56,58-63H,57H2,1-5H3
InChIKeyPUWXEDCJCUJKKF-UHFFFAOYSA-N
MW1649.86 g/mol
LogP28.95
Rot. Bonds14

About 9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-[4-[3-[[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole

9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-[4-[3-[[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole (PubChem CID 138554808) has the molecular formula C110H74F6N10 and a molecular weight of 1649.86 g/mol. Its IUPAC name is 9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-[4-[3-[[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-[4-[3-[[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
PubChem CID138554808
Molecular FormulaC110H74F6N10
Molecular Weight1649.86 g/mol
Exact Mass1648.60
IUPAC Name9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-[4-[3-[[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(C(F)(F)F)cc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(Cc3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccc(C)cc7c7cc(C)ccc76)c(-c6cc(C(F)(F)F)ccc6-n6c7ccc(C)cc7c7cc(C)ccc76)c5)n4)c3)ccc21
InChIInChI=1S/C110H74F6N10/c1-64-32-42-93-81(52-64)79-28-15-17-30-91(79)123(93)101-50-40-77(109(111,112)113)62-89(101)87-60-75(107-119-103(71-21-9-6-10-22-71)117-104(120-107)72-23-11-7-12-24-72)38-48-99(87)124-92-31-18-16-29-80(92)86-59-70(37-47-98(86)124)57-69-20-19-27-74(58-69)106-118-105(73-25-13-8-14-26-73)121-108(122-106)76-39-49-100(125-94-43-33-65(2)53-82(94)83-54-66(3)34-44-95(83)125)88(61-76)90-63-78(110(114,115)116)41-51-102(90)126-96-45-35-67(4)55-84(96)85-56-68(5)36-46-97(85)126/h6-56,58-63H,57H2,1-5H3
InChIKeyPUWXEDCJCUJKKF-UHFFFAOYSA-N
XLogP28.95
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001649.86
LogP ≤ 528.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-[4-[3-[[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-[4-[3-[[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-[4-[3-[[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole (CID 138554808) is 9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-[4-[3-[[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-[4-[3-[[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-[4-[3-[[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C(F)(F)F)cc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(Cc3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccc(C)cc7c7cc(C)ccc76)c(-c6cc(C(F)(F)F)ccc6-n6c7ccc(C)cc7c7cc(C)ccc76)c5)n4)c3)ccc21.
What is the InChIKey of 9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-[4-[3-[[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole?
The InChIKey is PUWXEDCJCUJKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H74F6N10/c1-64-32-42-93-81(52-64)79-28-15-17-30-91(79)123(93)101-50-40-77(109(111,112)113)62-89(101)87-60-75(107-119-103(71-21-9-6-10-22-71)117-104(120-107)72-23-11-7-12-24-72)38-48-99(87)124-92-31-18-16-29-80(92)86-59-70(37-47-98(86)124)57-69-20-19-27-74(58-69)106-118-105(73-25-13-8-14-26-73)121-108(122-106)76-39-49-100(125-94-43-33-65(2)53-82(94)83-54-66(3)34-44-95(83)125)88(61-76)90-63-78(110(114,115)116)41-51-102(90)126-96-45-35-67(4)55-84(96)85-56-68(5)36-46-97(85)126/h6-56,58-63H,57H2,1-5H3.
What are the key properties of 9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-[4-[3-[[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole?
9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-[4-[3-[[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole has a molecular weight of 1649.86 g/mol, XLogP of 28.95, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-[4-[3-[[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 138554808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).