12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole

C64H36F3N5O2 — CID 169059834

IUPAC12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C64H36F3N5O2/c65-64(66,67)50-25-15-24-44(56(50)72-52-27-12-8-21-41(52)46-32-34-48-43-23-10-14-29-55(43)74-60(48)58(46)72)49-36-39(63-69-61(37-16-3-1-4-17-37)68-62(70-63)38-18-5-2-6-19-38)30-35-53(49)71-51-26-11-7-20-40(51)45-31-33-47-42-22-9-13-28-54(42)73-59(47)57(45)71/h1-36H
InChIKeyNBUZNENKEIXRQU-UHFFFAOYSA-N
MW964.02 g/mol
LogP17.55
Rot. Bonds6

About 12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole

12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 169059834) has the molecular formula C64H36F3N5O2 and a molecular weight of 964.02 g/mol. Its IUPAC name is 12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID169059834
Molecular FormulaC64H36F3N5O2
Molecular Weight964.02 g/mol
Exact Mass963.28
IUPAC Name12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C64H36F3N5O2/c65-64(66,67)50-25-15-24-44(56(50)72-52-27-12-8-21-41(52)46-32-34-48-43-23-10-14-29-55(43)74-60(48)58(46)72)49-36-39(63-69-61(37-16-3-1-4-17-37)68-62(70-63)38-18-5-2-6-19-38)30-35-53(49)71-51-26-11-7-20-40(51)45-31-33-47-42-22-9-13-28-54(42)73-59(47)57(45)71/h1-36H
InChIKeyNBUZNENKEIXRQU-UHFFFAOYSA-N
XLogP17.55
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.02
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole with MolForge

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Related Compounds

9-[2-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]carbazole
CID 169059900
12-[2-[4-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 138712680
9-[2-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147508065
12-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 146573160
12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 166953087
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 138554643
12-[4-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163732544
12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126580353
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-a]carbazole
CID 171591603
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 170267844
12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163423429
12-[4-phenyl-6-[4-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164933118

Frequently Asked Questions

What is the IUPAC name of 12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole (CID 169059834) is 12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole is FC(F)(F)c1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.
What is the InChIKey of 12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is NBUZNENKEIXRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36F3N5O2/c65-64(66,67)50-25-15-24-44(56(50)72-52-27-12-8-21-41(52)46-32-34-48-43-23-10-14-29-55(43)74-60(48)58(46)72)49-36-39(63-69-61(37-16-3-1-4-17-37)68-62(70-63)38-18-5-2-6-19-38)30-35-53(49)71-51-26-11-7-20-40(51)45-31-33-47-42-22-9-13-28-54(42)73-59(47)57(45)71/h1-36H.
What are the key properties of 12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole?
12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 964.02 g/mol, XLogP of 17.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 169059834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).