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

C76H46F3N7 — CID 138554841

IUPAC5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C76H46F3N7/c77-76(78,79)49-37-40-68(86-67-36-20-16-32-56(67)63-44-61-54-30-14-18-34-65(54)84(70(61)46-72(63)86)51-27-11-4-12-28-51)59(41-49)58-42-52(38-39-57(58)75-81-73(47-21-5-1-6-22-47)80-74(82-75)48-23-7-2-8-24-48)85-66-35-19-15-31-55(66)62-43-60-53-29-13-17-33-64(53)83(69(60)45-71(62)85)50-25-9-3-10-26-50/h1-46H
InChIKeyGBOYCKLHHGPVSM-UHFFFAOYSA-N
MW1114.25 g/mol
LogP19.95
Rot. Bonds8

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

5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 138554841) has the molecular formula C76H46F3N7 and a molecular weight of 1114.25 g/mol. Its IUPAC name is 5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole
PubChem CID138554841
Molecular FormulaC76H46F3N7
Molecular Weight1114.25 g/mol
Exact Mass1113.38
IUPAC Name5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C76H46F3N7/c77-76(78,79)49-37-40-68(86-67-36-20-16-32-56(67)63-44-61-54-30-14-18-34-65(54)84(70(61)46-72(63)86)51-27-11-4-12-28-51)59(41-49)58-42-52(38-39-57(58)75-81-73(47-21-5-1-6-22-47)80-74(82-75)48-23-7-2-8-24-48)85-66-35-19-15-31-55(66)62-43-60-53-29-13-17-33-64(53)83(69(60)45-71(62)85)50-25-9-3-10-26-50/h1-46H
InChIKeyGBOYCKLHHGPVSM-UHFFFAOYSA-N
XLogP19.95
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001114.25
LogP ≤ 519.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole with MolForge

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Related Compounds

9-[3-[2,4-bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole
CID 162611736
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole
CID 156509710
2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 156509810
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 170268878
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
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 170267862
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486289
9-[3-[5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
CID 169059849
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 156509854
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-5-(trifluoromethyl)phenyl]-3-phenylcarbazole
CID 161243384
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]-3-(trifluoromethyl)carbazole
CID 138549656
9-[3-[2,4-bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 166669944

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole (CID 138554841) is 5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole is FC(F)(F)c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is GBOYCKLHHGPVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46F3N7/c77-76(78,79)49-37-40-68(86-67-36-20-16-32-56(67)63-44-61-54-30-14-18-34-65(54)84(70(61)46-72(63)86)51-27-11-4-12-28-51)59(41-49)58-42-52(38-39-57(58)75-81-73(47-21-5-1-6-22-47)80-74(82-75)48-23-7-2-8-24-48)85-66-35-19-15-31-55(66)62-43-60-53-29-13-17-33-64(53)83(69(60)45-71(62)85)50-25-9-3-10-26-50/h1-46H.
What are the key properties of 5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole?
5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 1114.25 g/mol, XLogP of 19.95, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 138554841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).