9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]-2,7-bis(trifluoromethyl)carbazole

C93H51F9N8O2 — CID 155233303

IUPAC9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]-2,7-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3cc(C(F)(F)F)cc4c3c3ccc(C(F)(F)F)cc3n4-c3ccc(-c4cccc5oc6ccccc6c45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3oc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C93H51F9N8O2/c94-91(95,96)58-39-45-73-68(48-58)63-28-13-16-32-72(63)109(73)74-43-37-57(47-70(74)89-105-85(52-20-5-1-6-21-52)103-86(106-89)53-22-7-2-8-23-53)62-41-42-64(84-83(62)67-30-15-18-34-79(67)112-84)69-49-60(93(100,101)102)51-77-81(69)65-40-38-59(92(97,98)99)50-76(65)110(77)75-44-36-56(61-31-19-35-80-82(61)66-29-14-17-33-78(66)111-80)46-71(75)90-107-87(54-24-9-3-10-25-54)104-88(108-90)55-26-11-4-12-27-55/h1-51H
InChIKeyXUTIICMEHRIFLI-UHFFFAOYSA-N
MW1483.47 g/mol
LogP26.11
Rot. Bonds11

About 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]-2,7-bis(trifluoromethyl)carbazole

9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]-2,7-bis(trifluoromethyl)carbazole (PubChem CID 155233303) has the molecular formula C93H51F9N8O2 and a molecular weight of 1483.47 g/mol. Its IUPAC name is 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]-2,7-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]-2,7-bis(trifluoromethyl)carbazole
PubChem CID155233303
Molecular FormulaC93H51F9N8O2
Molecular Weight1483.47 g/mol
Exact Mass1482.40
IUPAC Name9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]-2,7-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3cc(C(F)(F)F)cc4c3c3ccc(C(F)(F)F)cc3n4-c3ccc(-c4cccc5oc6ccccc6c45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3oc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C93H51F9N8O2/c94-91(95,96)58-39-45-73-68(48-58)63-28-13-16-32-72(63)109(73)74-43-37-57(47-70(74)89-105-85(52-20-5-1-6-21-52)103-86(106-89)53-22-7-2-8-23-53)62-41-42-64(84-83(62)67-30-15-18-34-79(67)112-84)69-49-60(93(100,101)102)51-77-81(69)65-40-38-59(92(97,98)99)50-76(65)110(77)75-44-36-56(61-31-19-35-80-82(61)66-29-14-17-33-78(66)111-80)46-71(75)90-107-87(54-24-9-3-10-25-54)104-88(108-90)55-26-11-4-12-27-55/h1-51H
InChIKeyXUTIICMEHRIFLI-UHFFFAOYSA-N
XLogP26.11
TPSA113.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001483.47
LogP ≤ 526.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]-2,7-bis(trifluoromethyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]-2,7-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]-2,7-bis(trifluoromethyl)carbazole (CID 155233303) is 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]-2,7-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]-2,7-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]-2,7-bis(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3cc(C(F)(F)F)cc4c3c3ccc(C(F)(F)F)cc3n4-c3ccc(-c4cccc5oc6ccccc6c45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3oc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]-2,7-bis(trifluoromethyl)carbazole?
The InChIKey is XUTIICMEHRIFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H51F9N8O2/c94-91(95,96)58-39-45-73-68(48-58)63-28-13-16-32-72(63)109(73)74-43-37-57(47-70(74)89-105-85(52-20-5-1-6-21-52)103-86(106-89)53-22-7-2-8-23-53)62-41-42-64(84-83(62)67-30-15-18-34-79(67)112-84)69-49-60(93(100,101)102)51-77-81(69)65-40-38-59(92(97,98)99)50-76(65)110(77)75-44-36-56(61-31-19-35-80-82(61)66-29-14-17-33-78(66)111-80)46-71(75)90-107-87(54-24-9-3-10-25-54)104-88(108-90)55-26-11-4-12-27-55/h1-51H.
What are the key properties of 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]-2,7-bis(trifluoromethyl)carbazole?
9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]-2,7-bis(trifluoromethyl)carbazole has a molecular weight of 1483.47 g/mol, XLogP of 26.11, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]-2,7-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 155233303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).