22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C281H173N25 — CID 160926980

IUPAC22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-n4c5ccccc5c5c4ccc4c6c7ccccc7ccc6n(-c6ccc7ccccc7c6)c45)cc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-n4c5ccccc5c5c4ccc4c6c7ccccc7ccc6n(-c6ccccc6)c45)cc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c4ccc4c6c7ccccc7ccc6n(-c6ccccc6)c45)cc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6c7c8ccccc8ccc7n(-c7ccccc7)c6ccc54)cc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6c(cc54)c4c5ccccc5ccc4n6-c4ccc5ccccc5c4)cc4ccccc34)n2)cc1
InChIInChI=1S/C61H37N5.2C57H35N5.2C53H33N5/c1-2-17-41(18-3-1)59-62-60(45-27-26-38-14-4-6-19-42(38)34-45)64-61(63-59)52-37-47(36-44-21-9-10-22-48(44)52)65-53-25-13-12-24-50(53)57-55(65)33-31-51-56-49-23-11-8-16-40(49)29-32-54(56)66(58(51)57)46-30-28-39-15-5-7-20-43(39)35-46;1-3-17-38(18-4-1)55-58-56(41-28-27-36-15-7-8-19-39(36)33-41)60-57(59-55)48-35-43(34-40-20-10-11-23-44(40)48)61-49-26-14-13-25-46(49)53-51(61)32-30-47-52-45-24-12-9-16-37(45)29-31-50(52)62(54(47)53)42-21-5-2-6-22-42;1-3-17-38(18-4-1)55-58-56(39-19-5-2-6-20-39)60-57(59-55)48-33-43(32-41-22-10-11-23-44(41)48)62-50-26-14-13-25-46(50)47-34-53-49(35-52(47)62)54-45-24-12-9-16-37(45)28-30-51(54)61(53)42-29-27-36-15-7-8-21-40(36)31-42;1-4-17-35(18-5-1)51-54-52(36-19-6-2-7-20-36)56-53(55-51)44-33-39(32-37-21-11-12-24-40(37)44)57-45-27-15-14-26-42(45)49-47(57)31-29-43-48-41-25-13-10-16-34(41)28-30-46(48)58(50(43)49)38-22-8-3-9-23-38;1-4-17-35(18-5-1)51-54-52(36-19-6-2-7-20-36)56-53(55-51)43-33-39(32-37-21-11-12-24-40(37)43)58-44-27-15-14-26-42(44)49-46(58)30-31-47-50(49)48-41-25-13-10-16-34(41)28-29-45(48)57(47)38-22-8-3-9-23-38/h1-37H;2*1-35H;2*1-33H
InChIKeySSTRERGVYLRZHF-UHFFFAOYSA-N
MW3899.65 g/mol
LogP71.48
Rot. Bonds25

About 22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 160926980) has the molecular formula C281H173N25 and a molecular weight of 3899.65 g/mol. Its IUPAC name is 22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
PubChem CID160926980
Molecular FormulaC281H173N25
Molecular Weight3899.65 g/mol
Exact Mass3896.43
IUPAC Name22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-n4c5ccccc5c5c4ccc4c6c7ccccc7ccc6n(-c6ccc7ccccc7c6)c45)cc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-n4c5ccccc5c5c4ccc4c6c7ccccc7ccc6n(-c6ccccc6)c45)cc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c4ccc4c6c7ccccc7ccc6n(-c6ccccc6)c45)cc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6c7c8ccccc8ccc7n(-c7ccccc7)c6ccc54)cc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6c(cc54)c4c5ccccc5ccc4n6-c4ccc5ccccc5c4)cc4ccccc34)n2)cc1
InChIInChI=1S/C61H37N5.2C57H35N5.2C53H33N5/c1-2-17-41(18-3-1)59-62-60(45-27-26-38-14-4-6-19-42(38)34-45)64-61(63-59)52-37-47(36-44-21-9-10-22-48(44)52)65-53-25-13-12-24-50(53)57-55(65)33-31-51-56-49-23-11-8-16-40(49)29-32-54(56)66(58(51)57)46-30-28-39-15-5-7-20-43(39)35-46;1-3-17-38(18-4-1)55-58-56(41-28-27-36-15-7-8-19-39(36)33-41)60-57(59-55)48-35-43(34-40-20-10-11-23-44(40)48)61-49-26-14-13-25-46(49)53-51(61)32-30-47-52-45-24-12-9-16-37(45)29-31-50(52)62(54(47)53)42-21-5-2-6-22-42;1-3-17-38(18-4-1)55-58-56(39-19-5-2-6-20-39)60-57(59-55)48-33-43(32-41-22-10-11-23-44(41)48)62-50-26-14-13-25-46(50)47-34-53-49(35-52(47)62)54-45-24-12-9-16-37(45)28-30-51(54)61(53)42-29-27-36-15-7-8-21-40(36)31-42;1-4-17-35(18-5-1)51-54-52(36-19-6-2-7-20-36)56-53(55-51)44-33-39(32-37-21-11-12-24-40(37)44)57-45-27-15-14-26-42(45)49-47(57)31-29-43-48-41-25-13-10-16-34(41)28-30-46(48)58(50(43)49)38-22-8-3-9-23-38;1-4-17-35(18-5-1)51-54-52(36-19-6-2-7-20-36)56-53(55-51)43-33-39(32-37-21-11-12-24-40(37)43)58-44-27-15-14-26-42(44)49-46(58)30-31-47-50(49)48-41-25-13-10-16-34(41)28-29-45(48)57(47)38-22-8-3-9-23-38/h1-37H;2*1-35H;2*1-33H
InChIKeySSTRERGVYLRZHF-UHFFFAOYSA-N
XLogP71.48
TPSA242.65 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003899.65
LogP ≤ 571.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

22-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;22-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 158569243
16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 138654293
9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 156531272
16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-yl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 161164703
16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 138654261
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 156530868
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156530949
5-naphthalen-2-yl-12-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240395
9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477284
8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 155477392
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156531291
14-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-naphthalen-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 158953256

Frequently Asked Questions

What is the IUPAC name of 22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 160926980) is 22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-n4c5ccccc5c5c4ccc4c6c7ccccc7ccc6n(-c6ccc7ccccc7c6)c45)cc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-n4c5ccccc5c5c4ccc4c6c7ccccc7ccc6n(-c6ccccc6)c45)cc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c4ccc4c6c7ccccc7ccc6n(-c6ccccc6)c45)cc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6c7c8ccccc8ccc7n(-c7ccccc7)c6ccc54)cc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6c(cc54)c4c5ccccc5ccc4n6-c4ccc5ccccc5c4)cc4ccccc34)n2)cc1.
What is the InChIKey of 22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The InChIKey is SSTRERGVYLRZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5.2C57H35N5.2C53H33N5/c1-2-17-41(18-3-1)59-62-60(45-27-26-38-14-4-6-19-42(38)34-45)64-61(63-59)52-37-47(36-44-21-9-10-22-48(44)52)65-53-25-13-12-24-50(53)57-55(65)33-31-51-56-49-23-11-8-16-40(49)29-32-54(56)66(58(51)57)46-30-28-39-15-5-7-20-43(39)35-46;1-3-17-38(18-4-1)55-58-56(41-28-27-36-15-7-8-19-39(36)33-41)60-57(59-55)48-35-43(34-40-20-10-11-23-44(40)48)61-49-26-14-13-25-46(49)53-51(61)32-30-47-52-45-24-12-9-16-37(45)29-31-50(52)62(54(47)53)42-21-5-2-6-22-42;1-3-17-38(18-4-1)55-58-56(39-19-5-2-6-20-39)60-57(59-55)48-33-43(32-41-22-10-11-23-44(41)48)62-50-26-14-13-25-46(50)47-34-53-49(35-52(47)62)54-45-24-12-9-16-37(45)28-30-51(54)61(53)42-29-27-36-15-7-8-21-40(36)31-42;1-4-17-35(18-5-1)51-54-52(36-19-6-2-7-20-36)56-53(55-51)44-33-39(32-37-21-11-12-24-40(37)44)57-45-27-15-14-26-42(45)49-47(57)31-29-43-48-41-25-13-10-16-34(41)28-30-46(48)58(50(43)49)38-22-8-3-9-23-38;1-4-17-35(18-5-1)51-54-52(36-19-6-2-7-20-36)56-53(55-51)43-33-39(32-37-21-11-12-24-40(37)43)58-44-27-15-14-26-42(44)49-46(58)30-31-47-50(49)48-41-25-13-10-16-34(41)28-29-45(48)57(47)38-22-8-3-9-23-38/h1-37H;2*1-35H;2*1-33H.
What are the key properties of 22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 3899.65 g/mol, XLogP of 71.48, 25 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 160926980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).