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

C59H31F6N5O2 — CID 138712680

IUPAC12-[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
SMILESFC(F)(F)c1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4ccc5c6ccccc6oc5c43)n2)c1
InChIInChI=1S/C59H31F6N5O2/c60-58(61,62)33-22-28-47(69-45-18-8-4-14-35(45)39-24-26-41-37-16-6-10-20-49(37)71-53(41)51(39)69)43(30-33)56-66-55(32-12-2-1-3-13-32)67-57(68-56)44-31-34(59(63,64)65)23-29-48(44)70-46-19-9-5-15-36(46)40-25-27-42-38-17-7-11-21-50(38)72-54(42)52(40)70/h1-31H
InChIKeyNGMYZQVSSMKIMT-UHFFFAOYSA-N
MW955.92 g/mol
LogP16.90
Rot. Bonds5

About 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

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 (PubChem CID 138712680) has the molecular formula C59H31F6N5O2 and a molecular weight of 955.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-[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
PubChem CID138712680
Molecular FormulaC59H31F6N5O2
Molecular Weight955.92 g/mol
Exact Mass955.24
IUPAC Name12-[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
SMILESFC(F)(F)c1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4ccc5c6ccccc6oc5c43)n2)c1
InChIInChI=1S/C59H31F6N5O2/c60-58(61,62)33-22-28-47(69-45-18-8-4-14-35(45)39-24-26-41-37-16-6-10-20-49(37)71-53(41)51(39)69)43(30-33)56-66-55(32-12-2-1-3-13-32)67-57(68-56)44-31-34(59(63,64)65)23-29-48(44)70-46-19-9-5-15-36(46)40-25-27-42-38-17-7-11-21-50(38)72-54(42)52(40)70/h1-31H
InChIKeyNGMYZQVSSMKIMT-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 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 with MolForge

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Related Compounds

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-[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
9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 138712829
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
9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 159203970
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162486312
3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155232876
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
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 170268714
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)carbazole
CID 137414604
12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 166953087
12-[4-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163732544

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)c1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4ccc5c6ccccc6oc5c43)n2)c1.
What is the InChIKey of 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?
The InChIKey is NGMYZQVSSMKIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H31F6N5O2/c60-58(61,62)33-22-28-47(69-45-18-8-4-14-35(45)39-24-26-41-37-16-6-10-20-49(37)71-53(41)51(39)69)43(30-33)56-66-55(32-12-2-1-3-13-32)67-57(68-56)44-31-34(59(63,64)65)23-29-48(44)70-46-19-9-5-15-36(46)40-25-27-42-38-17-7-11-21-50(38)72-54(42)52(40)70/h1-31H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 138712680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).