12-[2-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-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;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;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;14-[2-[4-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C295H158F27N25O10 — CID 160712160

IUPAC12-[2-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-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;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;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;14-[2-[4-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESCc1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4ccc5oc6ccccc6c5c43)n2)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)n2)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)n2)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4cc5oc6ccccc6c5cc43)n2)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4ccc5c6ccccc6oc5c43)n2)c1
InChIInChI=1S/4C59H31F6N5O2.C59H34F3N5O2/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;60-58(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;60-58(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;60-58(61,62)33-22-24-43(69-41-18-8-4-14-35(41)51-45(69)26-28-49-53(51)37-16-6-10-20-47(37)71-49)39(30-33)56-66-55(32-12-2-1-3-13-32)67-57(68-56)40-31-34(59(63,64)65)23-25-44(40)70-42-19-9-5-15-36(42)52-46(70)27-29-50-54(52)38-17-7-11-21-48(38)72-50;1-33-23-27-46(66-44-19-9-5-15-36(44)38-25-29-50-52(54(38)66)40-17-7-11-21-48(40)68-50)42(31-33)57-63-56(34-13-3-2-4-14-34)64-58(65-57)43-32-35(59(60,61)62)24-28-47(43)67-45-20-10-6-16-37(45)39-26-30-51-53(55(39)67)41-18-8-12-22-49(41)69-51/h4*1-31H;2-32H,1H3
InChIKeyRRZRKYHWSWOJFL-UHFFFAOYSA-N
MW4725.62 g/mol
LogP83.81
Rot. Bonds25

About 12-[2-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-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;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;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;14-[2-[4-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

12-[2-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-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;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;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;14-[2-[4-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 160712160) has the molecular formula C295H158F27N25O10 and a molecular weight of 4725.62 g/mol. Its IUPAC name is 12-[2-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-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;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;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;14-[2-[4-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name12-[2-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-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;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;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;14-[2-[4-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID160712160
Molecular FormulaC295H158F27N25O10
Molecular Weight4725.62 g/mol
Exact Mass4722.22
IUPAC Name12-[2-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-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;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;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;14-[2-[4-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESCc1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4ccc5oc6ccccc6c5c43)n2)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)n2)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)n2)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4cc5oc6ccccc6c5cc43)n2)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4ccc5c6ccccc6oc5c43)n2)c1
InChIInChI=1S/4C59H31F6N5O2.C59H34F3N5O2/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;60-58(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;60-58(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;60-58(61,62)33-22-24-43(69-41-18-8-4-14-35(41)51-45(69)26-28-49-53(51)37-16-6-10-20-47(37)71-49)39(30-33)56-66-55(32-12-2-1-3-13-32)67-57(68-56)40-31-34(59(63,64)65)23-25-44(40)70-42-19-9-5-15-36(42)52-46(70)27-29-50-54(52)38-17-7-11-21-48(38)72-50;1-33-23-27-46(66-44-19-9-5-15-36(44)38-25-29-50-52(54(38)66)40-17-7-11-21-48(40)68-50)42(31-33)57-63-56(34-13-3-2-4-14-34)64-58(65-57)43-32-35(59(60,61)62)24-28-47(43)67-45-20-10-6-16-37(45)39-26-30-51-53(55(39)67)41-18-8-12-22-49(41)69-51/h4*1-31H;2-32H,1H3
InChIKeyRRZRKYHWSWOJFL-UHFFFAOYSA-N
XLogP83.81
TPSA374.05 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms357
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004725.62
LogP ≤ 583.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 12-[2-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-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;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;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;14-[2-[4-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[2-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-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;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;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;14-[2-[4-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 12-[2-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-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;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;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;14-[2-[4-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 160712160) is 12-[2-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-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;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;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;14-[2-[4-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 12-[2-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-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;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;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;14-[2-[4-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 12-[2-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-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;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;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;14-[2-[4-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is Cc1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4ccc5oc6ccccc6c5c43)n2)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)n2)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)n2)c1.FC(F)(F)c1ccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4cc5oc6ccccc6c5cc43)n2)c1.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[3,2-a]carbazol-12-yl)-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-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;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;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;14-[2-[4-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is RRZRKYHWSWOJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C59H31F6N5O2.C59H34F3N5O2/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;60-58(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;60-58(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;60-58(61,62)33-22-24-43(69-41-18-8-4-14-35(41)51-45(69)26-28-49-53(51)37-16-6-10-20-47(37)71-49)39(30-33)56-66-55(32-12-2-1-3-13-32)67-57(68-56)40-31-34(59(63,64)65)23-25-44(40)70-42-19-9-5-15-36(42)52-46(70)27-29-50-54(52)38-17-7-11-21-48(38)72-50;1-33-23-27-46(66-44-19-9-5-15-36(44)38-25-29-50-52(54(38)66)40-17-7-11-21-48(40)68-50)42(31-33)57-63-56(34-13-3-2-4-14-34)64-58(65-57)43-32-35(59(60,61)62)24-28-47(43)67-45-20-10-6-16-37(45)39-26-30-51-53(55(39)67)41-18-8-12-22-49(41)69-51/h4*1-31H;2-32H,1H3.
What are the key properties of 12-[2-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-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;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;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;14-[2-[4-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
12-[2-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-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;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;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;14-[2-[4-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 4725.62 g/mol, XLogP of 83.81, 25 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-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;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;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;14-[2-[4-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 160712160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).