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

C64H36F3N5O2 — CID 138554493

IUPAC5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESFC(F)(F)c1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C64H36F3N5O2/c65-64(66,67)46-26-16-30-50(72-48-28-12-8-24-44(48)57-52(72)36-34-42-40-22-10-14-32-54(40)74-60(42)57)58(46)55-45(63-69-61(37-17-3-1-4-18-37)68-62(70-63)38-19-5-2-6-20-38)25-15-29-49(55)71-47-27-11-7-23-43(47)56-51(71)35-33-41-39-21-9-13-31-53(39)73-59(41)56/h1-36H
InChIKeyVSGXFRPOLVBNFY-UHFFFAOYSA-N
MW964.02 g/mol
LogP17.55
Rot. Bonds6

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

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 138554493) has the molecular formula C64H36F3N5O2 and a molecular weight of 964.02 g/mol. Its IUPAC name is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID138554493
Molecular FormulaC64H36F3N5O2
Molecular Weight964.02 g/mol
Exact Mass963.28
IUPAC Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESFC(F)(F)c1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C64H36F3N5O2/c65-64(66,67)46-26-16-30-50(72-48-28-12-8-24-44(48)57-52(72)36-34-42-40-22-10-14-32-54(40)74-60(42)57)58(46)55-45(63-69-61(37-17-3-1-4-18-37)68-62(70-63)38-19-5-2-6-20-38)25-15-29-49(55)71-47-27-11-7-23-43(47)56-51(71)35-33-41-39-21-9-13-31-53(39)73-59(41)56/h1-36H
InChIKeyVSGXFRPOLVBNFY-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 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 138554493) is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole is FC(F)(F)c1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.
What is the InChIKey of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is VSGXFRPOLVBNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36F3N5O2/c65-64(66,67)46-26-16-30-50(72-48-28-12-8-24-44(48)57-52(72)36-34-42-40-22-10-14-32-54(40)74-60(42)57)58(46)55-45(63-69-61(37-17-3-1-4-18-37)68-62(70-63)38-19-5-2-6-20-38)25-15-29-49(55)71-47-27-11-7-23-43(47)56-51(71)35-33-41-39-21-9-13-31-53(39)73-59(41)56/h1-36H.
What are the key properties of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]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 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 138554493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).