2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-5-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;9-[4-[3-[4-(8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;2-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-6-ylphenyl]quinoline

C320H200N36S2 — CID 160788380

IUPAC2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-5-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;9-[4-[3-[4-(8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;2-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-6-ylphenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5nc6cccc7c8ccccc8n5c67)cc4)cc(-c4ccc(-c5nc6cccc7c8ccccc8n5c67)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5ncccc5c4)cc(-c4ccc5ncccc5c4)c3)n2)cc1.c1ccc(-n2c(-c3ccc(-c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4)cc3)nc3ccccc32)cc1.c1ccc2cc(-c3nc(-c4cc(-c5ccc(-c6cncnc6)cc5)cc(-c5ccc(-c6cncnc6)cc5)c4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.c1ccc2cc(-c3nc(-c4cc(-c5ccc(-c6nc7ccccc7s6)cc5)cc(-c5ccc(-c6nc7ccccc7s6)cc5)c4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.c1cncc(-c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c3)cc2)c1
InChIInChI=1S/C67H43N7.C59H35N7.C55H33N5S2.C51H33N5.C49H31N7.C39H25N5/c1-3-19-57(20-4-1)73-61-25-13-11-23-59(61)68-66(73)48-33-27-46(28-34-48)54-41-55(47-29-35-49(36-30-47)67-69-60-24-12-14-26-62(60)74(67)58-21-5-2-6-22-58)43-56(42-54)65-71-63(52-37-31-44-15-7-9-17-50(44)39-52)70-64(72-65)53-38-32-45-16-8-10-18-51(45)40-53;1-3-13-38(14-4-1)55-62-56(39-15-5-2-6-16-39)64-57(63-55)44-34-42(36-25-29-40(30-26-36)58-60-49-21-11-19-47-45-17-7-9-23-51(45)65(58)53(47)49)33-43(35-44)37-27-31-41(32-28-37)59-61-50-22-12-20-48-46-18-8-10-24-52(46)66(59)54(48)50;1-3-11-40-29-42(27-21-34(40)9-1)51-58-52(43-28-22-35-10-2-4-12-41(35)30-43)60-53(59-51)46-32-44(36-17-23-38(24-18-36)54-56-47-13-5-7-15-49(47)61-54)31-45(33-46)37-19-25-39(26-20-37)55-57-48-14-6-8-16-50(48)62-55;1-3-9-40-27-42(23-21-34(40)7-1)49-54-50(43-24-22-35-8-2-4-10-41(35)28-43)56-51(55-49)48-30-46(38-17-13-36(14-18-38)44-11-5-25-52-32-44)29-47(31-48)39-19-15-37(16-20-39)45-12-6-26-53-33-45;1-3-7-38-21-40(19-17-32(38)5-1)47-54-48(41-20-18-33-6-2-4-8-39(33)22-41)56-49(55-47)44-24-42(34-9-13-36(14-10-34)45-26-50-30-51-27-45)23-43(25-44)35-11-15-37(16-12-35)46-28-52-31-53-29-46;1-3-9-26(10-4-1)37-42-38(27-11-5-2-6-12-27)44-39(43-37)34-24-32(28-15-17-35-30(21-28)13-7-19-40-35)23-33(25-34)29-16-18-36-31(22-29)14-8-20-41-36/h1-43H;1-35H;1-33H;1-33H;1-31H;1-25H
InChIKeySBMZEDXQMLVZBY-UHFFFAOYSA-N
MW4613.51 g/mol
LogP79.28
Rot. Bonds42

About 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-5-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;9-[4-[3-[4-(8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;2-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-6-ylphenyl]quinoline

2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-5-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;9-[4-[3-[4-(8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;2-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-6-ylphenyl]quinoline (PubChem CID 160788380) has the molecular formula C320H200N36S2 and a molecular weight of 4613.51 g/mol. Its IUPAC name is 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-5-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;9-[4-[3-[4-(8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;2-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-6-ylphenyl]quinoline.

Molecular Properties

Compound Name2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-5-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;9-[4-[3-[4-(8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;2-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-6-ylphenyl]quinoline
PubChem CID160788380
Molecular FormulaC320H200N36S2
Molecular Weight4613.51 g/mol
Exact Mass4609.62
IUPAC Name2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-5-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;9-[4-[3-[4-(8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;2-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-6-ylphenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5nc6cccc7c8ccccc8n5c67)cc4)cc(-c4ccc(-c5nc6cccc7c8ccccc8n5c67)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5ncccc5c4)cc(-c4ccc5ncccc5c4)c3)n2)cc1.c1ccc(-n2c(-c3ccc(-c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4)cc3)nc3ccccc32)cc1.c1ccc2cc(-c3nc(-c4cc(-c5ccc(-c6cncnc6)cc5)cc(-c5ccc(-c6cncnc6)cc5)c4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.c1ccc2cc(-c3nc(-c4cc(-c5ccc(-c6nc7ccccc7s6)cc5)cc(-c5ccc(-c6nc7ccccc7s6)cc5)c4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.c1cncc(-c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c3)cc2)c1
InChIInChI=1S/C67H43N7.C59H35N7.C55H33N5S2.C51H33N5.C49H31N7.C39H25N5/c1-3-19-57(20-4-1)73-61-25-13-11-23-59(61)68-66(73)48-33-27-46(28-34-48)54-41-55(47-29-35-49(36-30-47)67-69-60-24-12-14-26-62(60)74(67)58-21-5-2-6-22-58)43-56(42-54)65-71-63(52-37-31-44-15-7-9-17-50(44)39-52)70-64(72-65)53-38-32-45-16-8-10-18-51(45)40-53;1-3-13-38(14-4-1)55-62-56(39-15-5-2-6-16-39)64-57(63-55)44-34-42(36-25-29-40(30-26-36)58-60-49-21-11-19-47-45-17-7-9-23-51(45)65(58)53(47)49)33-43(35-44)37-27-31-41(32-28-37)59-61-50-22-12-20-48-46-18-8-10-24-52(46)66(59)54(48)50;1-3-11-40-29-42(27-21-34(40)9-1)51-58-52(43-28-22-35-10-2-4-12-41(35)30-43)60-53(59-51)46-32-44(36-17-23-38(24-18-36)54-56-47-13-5-7-15-49(47)61-54)31-45(33-46)37-19-25-39(26-20-37)55-57-48-14-6-8-16-50(48)62-55;1-3-9-40-27-42(23-21-34(40)7-1)49-54-50(43-24-22-35-8-2-4-10-41(35)28-43)56-51(55-49)48-30-46(38-17-13-36(14-18-38)44-11-5-25-52-32-44)29-47(31-48)39-19-15-37(16-20-39)45-12-6-26-53-33-45;1-3-7-38-21-40(19-17-32(38)5-1)47-54-48(41-20-18-33-6-2-4-8-39(33)22-41)56-49(55-47)44-24-42(34-9-13-36(14-10-34)45-26-50-30-51-27-45)23-43(25-44)35-11-15-37(16-12-35)46-28-52-31-53-29-46;1-3-9-26(10-4-1)37-42-38(27-11-5-2-6-12-27)44-39(43-37)34-24-32(28-15-17-35-30(21-28)13-7-19-40-35)23-33(25-34)29-16-18-36-31(22-29)14-8-20-41-36/h1-43H;1-35H;1-33H;1-33H;1-31H;1-25H
InChIKeySBMZEDXQMLVZBY-UHFFFAOYSA-N
XLogP79.28
TPSA431.16 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds42
Heavy Atoms358
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004613.51
LogP ≤ 579.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-5-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;9-[4-[3-[4-(8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;2-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-6-ylphenyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-5-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;9-[4-[3-[4-(8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;2-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-6-ylphenyl]quinoline?
The IUPAC name of 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-5-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;9-[4-[3-[4-(8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;2-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-6-ylphenyl]quinoline (CID 160788380) is 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-5-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;9-[4-[3-[4-(8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;2-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-6-ylphenyl]quinoline.
What is the SMILES notation for 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-5-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;9-[4-[3-[4-(8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;2-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-6-ylphenyl]quinoline?
The canonical SMILES for 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-5-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;9-[4-[3-[4-(8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;2-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-6-ylphenyl]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5nc6cccc7c8ccccc8n5c67)cc4)cc(-c4ccc(-c5nc6cccc7c8ccccc8n5c67)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5ncccc5c4)cc(-c4ccc5ncccc5c4)c3)n2)cc1.c1ccc(-n2c(-c3ccc(-c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4)cc3)nc3ccccc32)cc1.c1ccc2cc(-c3nc(-c4cc(-c5ccc(-c6cncnc6)cc5)cc(-c5ccc(-c6cncnc6)cc5)c4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.c1ccc2cc(-c3nc(-c4cc(-c5ccc(-c6nc7ccccc7s6)cc5)cc(-c5ccc(-c6nc7ccccc7s6)cc5)c4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.c1cncc(-c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c3)cc2)c1.
What is the InChIKey of 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-5-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;9-[4-[3-[4-(8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;2-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-6-ylphenyl]quinoline?
The InChIKey is SBMZEDXQMLVZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N7.C59H35N7.C55H33N5S2.C51H33N5.C49H31N7.C39H25N5/c1-3-19-57(20-4-1)73-61-25-13-11-23-59(61)68-66(73)48-33-27-46(28-34-48)54-41-55(47-29-35-49(36-30-47)67-69-60-24-12-14-26-62(60)74(67)58-21-5-2-6-22-58)43-56(42-54)65-71-63(52-37-31-44-15-7-9-17-50(44)39-52)70-64(72-65)53-38-32-45-16-8-10-18-51(45)40-53;1-3-13-38(14-4-1)55-62-56(39-15-5-2-6-16-39)64-57(63-55)44-34-42(36-25-29-40(30-26-36)58-60-49-21-11-19-47-45-17-7-9-23-51(45)65(58)53(47)49)33-43(35-44)37-27-31-41(32-28-37)59-61-50-22-12-20-48-46-18-8-10-24-52(46)66(59)54(48)50;1-3-11-40-29-42(27-21-34(40)9-1)51-58-52(43-28-22-35-10-2-4-12-41(35)30-43)60-53(59-51)46-32-44(36-17-23-38(24-18-36)54-56-47-13-5-7-15-49(47)61-54)31-45(33-46)37-19-25-39(26-20-37)55-57-48-14-6-8-16-50(48)62-55;1-3-9-40-27-42(23-21-34(40)7-1)49-54-50(43-24-22-35-8-2-4-10-41(35)28-43)56-51(55-49)48-30-46(38-17-13-36(14-18-38)44-11-5-25-52-32-44)29-47(31-48)39-19-15-37(16-20-39)45-12-6-26-53-33-45;1-3-7-38-21-40(19-17-32(38)5-1)47-54-48(41-20-18-33-6-2-4-8-39(33)22-41)56-49(55-47)44-24-42(34-9-13-36(14-10-34)45-26-50-30-51-27-45)23-43(25-44)35-11-15-37(16-12-35)46-28-52-31-53-29-46;1-3-9-26(10-4-1)37-42-38(27-11-5-2-6-12-27)44-39(43-37)34-24-32(28-15-17-35-30(21-28)13-7-19-40-35)23-33(25-34)29-16-18-36-31(22-29)14-8-20-41-36/h1-43H;1-35H;1-33H;1-33H;1-31H;1-25H.
What are the key properties of 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-5-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;9-[4-[3-[4-(8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;2-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-6-ylphenyl]quinoline?
2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-5-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;9-[4-[3-[4-(8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;2-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-6-ylphenyl]quinoline has a molecular weight of 4613.51 g/mol, XLogP of 79.28, 42 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-pyrimidin-5-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;9-[4-[3-[4-(8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;2-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-6-ylphenyl]quinoline is sourced from PubChem (CID 160788380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).