11-[2-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]carbazole

C59H31F6N5O2 — CID 138712677

IUPAC11-[2-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4cc5oc6ccccc6c5cc43)n2)c1
InChIInChI=1S/C59H31F6N5O2/c60-58(61,62)33-22-24-47(69-45-18-8-4-14-35(45)39-30-53-41(28-49(39)69)37-16-6-10-20-51(37)71-53)43(26-33)56-66-55(32-12-2-1-3-13-32)67-57(68-56)44-27-34(59(63,64)65)23-25-48(44)70-46-19-9-5-15-36(46)40-31-54-42(29-50(40)70)38-17-7-11-21-52(38)72-54/h1-31H
InChIKeyMPANKKJMPGOGRU-UHFFFAOYSA-N
MW955.92 g/mol
LogP16.90
Rot. Bonds5

About 11-[2-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]carbazole

11-[2-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 138712677) has the molecular formula C59H31F6N5O2 and a molecular weight of 955.92 g/mol. Its IUPAC name is 11-[2-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[2-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID138712677
Molecular FormulaC59H31F6N5O2
Molecular Weight955.92 g/mol
Exact Mass955.24
IUPAC Name11-[2-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4cc5oc6ccccc6c5cc43)n2)c1
InChIInChI=1S/C59H31F6N5O2/c60-58(61,62)33-22-24-47(69-45-18-8-4-14-35(45)39-30-53-41(28-49(39)69)37-16-6-10-20-51(37)71-53)43(26-33)56-66-55(32-12-2-1-3-13-32)67-57(68-56)44-27-34(59(63,64)65)23-25-48(44)70-46-19-9-5-15-36(46)40-31-54-42(29-50(40)70)38-17-7-11-21-52(38)72-54/h1-31H
InChIKeyMPANKKJMPGOGRU-UHFFFAOYSA-N
XLogP16.90
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.92
LogP ≤ 516.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-[2-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[2-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[2-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]carbazole (CID 138712677) is 11-[2-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[2-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[2-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]carbazole is FC(F)(F)c1ccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4cc5oc6ccccc6c5cc43)n2)c1.
What is the InChIKey of 11-[2-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is MPANKKJMPGOGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H31F6N5O2/c60-58(61,62)33-22-24-47(69-45-18-8-4-14-35(45)39-30-53-41(28-49(39)69)37-16-6-10-20-51(37)71-53)43(26-33)56-66-55(32-12-2-1-3-13-32)67-57(68-56)44-27-34(59(63,64)65)23-25-48(44)70-46-19-9-5-15-36(46)40-31-54-42(29-50(40)70)38-17-7-11-21-52(38)72-54/h1-31H.
What are the key properties of 11-[2-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]carbazole?
11-[2-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 955.92 g/mol, XLogP of 16.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 138712677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).