7-[2-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-b]carbazole

C59H31F6N5O2 — CID 138712676

IUPAC7-[2-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)n2)c1
InChIInChI=1S/C59H31F6N5O2/c60-58(61,62)33-22-24-47(69-45-18-8-4-14-35(45)39-28-41-37-16-6-10-20-51(37)71-53(41)30-49(39)69)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)40-29-42-38-17-7-11-21-52(38)72-54(42)31-50(40)70/h1-31H
InChIKeyZWPYDCKVITYEGJ-UHFFFAOYSA-N
MW955.92 g/mol
LogP16.90
Rot. Bonds5

About 7-[2-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-b]carbazole

7-[2-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 138712676) has the molecular formula C59H31F6N5O2 and a molecular weight of 955.92 g/mol. Its IUPAC name is 7-[2-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[2-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-b]carbazole
PubChem CID138712676
Molecular FormulaC59H31F6N5O2
Molecular Weight955.92 g/mol
Exact Mass955.24
IUPAC Name7-[2-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)n2)c1
InChIInChI=1S/C59H31F6N5O2/c60-58(61,62)33-22-24-47(69-45-18-8-4-14-35(45)39-28-41-37-16-6-10-20-51(37)71-53(41)30-49(39)69)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)40-29-42-38-17-7-11-21-52(38)72-54(42)31-50(40)70/h1-31H
InChIKeyZWPYDCKVITYEGJ-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 7-[2-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[2-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-b]carbazole (CID 138712676) is 7-[2-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[2-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[2-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-b]carbazole is FC(F)(F)c1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)n2)c1.
What is the InChIKey of 7-[2-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is ZWPYDCKVITYEGJ-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)39-28-41-37-16-6-10-20-51(37)71-53(41)30-49(39)69)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)40-29-42-38-17-7-11-21-52(38)72-54(42)31-50(40)70/h1-31H.
What are the key properties of 7-[2-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-b]carbazole?
7-[2-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-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 7-[2-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 138712676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).