3-[4-[4-[8-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-[4-(trifluoromethyl)phenyl]carbazole

C101H59F3N10O2 — CID 170281411

IUPAC3-[4-[4-[8-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-[4-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9cc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8c67)n5)cc4)cc3c3cc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)ccc32)cc1
InChIInChI=1S/C101H59F3N10O2/c102-101(103,104)72-45-47-73(48-46-72)113-84-49-40-67(54-78(84)79-56-69(41-50-85(79)113)71-44-53-88-81(58-71)92-75(31-18-34-89(92)116-88)99-109-95(63-24-10-3-11-25-63)107-96(110-99)64-26-12-4-13-27-64)60-36-38-66(39-37-60)98-108-97(65-28-14-5-15-29-65)111-100(112-98)76-32-19-35-90-93(76)80-57-70(43-52-87(80)115-90)68-42-51-86-77(55-68)74-30-16-17-33-83(74)114(86)91-59-82(61-20-6-1-7-21-61)105-94(106-91)62-22-8-2-9-23-62/h1-59H
InChIKeyDHDAAAAFDPBXIZ-UHFFFAOYSA-N
MW1501.64 g/mol
LogP26.20
Rot. Bonds13

About 3-[4-[4-[8-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-[4-(trifluoromethyl)phenyl]carbazole

3-[4-[4-[8-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-[4-(trifluoromethyl)phenyl]carbazole (PubChem CID 170281411) has the molecular formula C101H59F3N10O2 and a molecular weight of 1501.64 g/mol. Its IUPAC name is 3-[4-[4-[8-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-[4-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name3-[4-[4-[8-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-[4-(trifluoromethyl)phenyl]carbazole
PubChem CID170281411
Molecular FormulaC101H59F3N10O2
Molecular Weight1501.64 g/mol
Exact Mass1500.48
IUPAC Name3-[4-[4-[8-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-[4-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9cc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8c67)n5)cc4)cc3c3cc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)ccc32)cc1
InChIInChI=1S/C101H59F3N10O2/c102-101(103,104)72-45-47-73(48-46-72)113-84-49-40-67(54-78(84)79-56-69(41-50-85(79)113)71-44-53-88-81(58-71)92-75(31-18-34-89(92)116-88)99-109-95(63-24-10-3-11-25-63)107-96(110-99)64-26-12-4-13-27-64)60-36-38-66(39-37-60)98-108-97(65-28-14-5-15-29-65)111-100(112-98)76-32-19-35-90-93(76)80-57-70(43-52-87(80)115-90)68-42-51-86-77(55-68)74-30-16-17-33-83(74)114(86)91-59-82(61-20-6-1-7-21-61)105-94(106-91)62-22-8-2-9-23-62/h1-59H
InChIKeyDHDAAAAFDPBXIZ-UHFFFAOYSA-N
XLogP26.20
TPSA139.26 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001501.64
LogP ≤ 526.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[4-[4-[8-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-[4-(trifluoromethyl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[8-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-[4-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 3-[4-[4-[8-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-[4-(trifluoromethyl)phenyl]carbazole (CID 170281411) is 3-[4-[4-[8-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-[4-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 3-[4-[4-[8-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-[4-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 3-[4-[4-[8-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-[4-(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1ccc(-n2c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9cc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8c67)n5)cc4)cc3c3cc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)ccc32)cc1.
What is the InChIKey of 3-[4-[4-[8-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-[4-(trifluoromethyl)phenyl]carbazole?
The InChIKey is DHDAAAAFDPBXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H59F3N10O2/c102-101(103,104)72-45-47-73(48-46-72)113-84-49-40-67(54-78(84)79-56-69(41-50-85(79)113)71-44-53-88-81(58-71)92-75(31-18-34-89(92)116-88)99-109-95(63-24-10-3-11-25-63)107-96(110-99)64-26-12-4-13-27-64)60-36-38-66(39-37-60)98-108-97(65-28-14-5-15-29-65)111-100(112-98)76-32-19-35-90-93(76)80-57-70(43-52-87(80)115-90)68-42-51-86-77(55-68)74-30-16-17-33-83(74)114(86)91-59-82(61-20-6-1-7-21-61)105-94(106-91)62-22-8-2-9-23-62/h1-59H.
What are the key properties of 3-[4-[4-[8-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-[4-(trifluoromethyl)phenyl]carbazole?
3-[4-[4-[8-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-[4-(trifluoromethyl)phenyl]carbazole has a molecular weight of 1501.64 g/mol, XLogP of 26.20, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[8-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-[4-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 170281411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).