5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole

C274H166F12N22O2S2 — CID 158357607

About 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 158357607) has the molecular formula C274H166F12N22O2S2 and a molecular weight of 4090.60 g/mol. Its IUPAC name is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole
• PubChem CID: 158357607
• Molecular Formula: C274H166F12N22O2S2
• Molecular Weight: 4090.60 g/mol
• Exact Mass: 4087.28
• IUPAC Name: 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1c(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)cccc1C(F)(F)F.FC(F)(F)c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.FC(F)(F)c1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.FC(F)(F)c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21
• InChI: InChI=1S/C76H46F3N7.C70H48F3N5.C64H36F3N5O2.C64H36F3N5S2/c77-76(78,79)59-34-21-39-65(86-63-38-20-16-33-57(63)70-67(86)45-42-55-53-31-14-18-36-61(53)84(72(55)70)51-28-11-4-12-29-51)68(59)58-46-49(75-81-73(47-22-5-1-6-23-47)80-74(82-75)48-24-7-2-8-25-48)40-43-64(58)85-62-37-19-15-32-56(62)69-66(85)44-41-54-52-30-13-17-35-60(52)83(71(54)69)50-26-9-3-10-27-50;1-68(2)51-28-15-11-24-44(51)46-35-38-58-61(63(46)68)48-26-13-17-31-54(48)77(58)56-37-34-43(67-75-65(41-20-7-5-8-21-41)74-66(76-67)42-22-9-6-10-23-42)40-50(56)60-53(70(71,72)73)30-19-33-57(60)78-55-32-18-14-27-49(55)62-59(78)39-36-47-45-25-12-16-29-52(45)69(3,4)64(47)62;2*65-64(66,67)47-24-15-27-51(72-49-26-12-8-23-45(49)58-53(72)35-32-43-41-21-10-14-29-55(41)74-60(43)58)56(47)46-36-39(63-69-61(37-16-3-1-4-17-37)68-62(70-63)38-18-5-2-6-19-38)30-33-50(46)71-48-25-11-7-22-44(48)57-52(71)34-31-42-40-20-9-13-28-54(40)73-59(42)57/h1-46H;5-40H,1-4H3;2*1-36H
• InChIKey: GTBOAHCJGKZVDL-UHFFFAOYSA-N
• XLogP: 74.35
• TPSA: 230.26 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 312
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4090.60
LogP ≤ 5	74.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole?

The IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole (CID 158357607) is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole.

What is the SMILES notation for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole?

The canonical SMILES for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1c(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)cccc1C(F)(F)F.FC(F)(F)c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.FC(F)(F)c1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.FC(F)(F)c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.

What is the InChIKey of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole?

The InChIKey is GTBOAHCJGKZVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46F3N7.C70H48F3N5.C64H36F3N5O2.C64H36F3N5S2/c77-76(78,79)59-34-21-39-65(86-63-38-20-16-33-57(63)70-67(86)45-42-55-53-31-14-18-36-61(53)84(72(55)70)51-28-11-4-12-29-51)68(59)58-46-49(75-81-73(47-22-5-1-6-23-47)80-74(82-75)48-24-7-2-8-25-48)40-43-64(58)85-62-37-19-15-32-56(62)69-66(85)44-41-54-52-30-13-17-35-60(52)83(71(54)69)50-26-9-3-10-27-50;1-68(2)51-28-15-11-24-44(51)46-35-38-58-61(63(46)68)48-26-13-17-31-54(48)77(58)56-37-34-43(67-75-65(41-20-7-5-8-21-41)74-66(76-67)42-22-9-6-10-23-42)40-50(56)60-53(70(71,72)73)30-19-33-57(60)78-55-32-18-14-27-49(55)62-59(78)39-36-47-45-25-12-16-29-52(45)69(3,4)64(47)62;2*65-64(66,67)47-24-15-27-51(72-49-26-12-8-23-45(49)58-53(72)35-32-43-41-21-10-14-29-55(41)74-60(43)58)56(47)46-36-39(63-69-61(37-16-3-1-4-17-37)68-62(70-63)38-18-5-2-6-19-38)30-33-50(46)71-48-25-11-7-22-44(48)57-52(71)34-31-42-40-20-9-13-28-54(40)73-59(42)57/h1-46H;5-40H,1-4H3;2*1-36H.

What are the key properties of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole?

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 4090.60 g/mol, XLogP of 74.35, 26 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 158357607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).