2-benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine

C317H193N27S2 — CID 157372052

IUPAC2-benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine
SMILESCn1cnc2ccc(-c3cccc(-c4ccc5ccc6ccc7ccccc7c6c5c4)n3)cc21.c1cc(-c2ccc3ncsc3c2)cc(-c2ccc3ccc4c(-c5cccc(-c6ccc7ncsc7c6)c5)cc5ccccc5c4c3c2)c1.c1ccc(-c2ccnc(-c3cc4ccc5cc(-c6cc(-c7ccccc7)ccn6)c6ccccc6c5c4c4ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccc4ccc5ccc6ccccc6c5c4c3)n2)cc1.c1ccc(-c2ncnc(-c3cc4cc(-c5ncnc(-c6ccccn6)n5)c5ccc6ccccc6c5c4c4ccccc34)n2)nc1.c1ccc2c(c1)ccc1c3ccc(-c4cc(-c5ccc6ccc7cccnc7c6n5)c5cnccc5c4)cc3ccc21.c1ccc2c(c1)ccc1c3ccc(-c4nccc(-c5ccc6ccc7cccnc7c6n5)n4)cc3ccc21.c1cnc2ccc(-c3cc(-c4ccc5ncccc5c4)cc(-c4ccc5ccc6ccc7ccccc7c6c5c4)c3)cc2c1
InChIInChI=1S/C45H27N3.C44H26N2S2.C44H28N2.C42H26N2.C39H23N3.C38H22N8.C34H20N4.C31H21N3/c1-2-11-31(12-3-1)43-46-44(32-23-20-29-19-22-30-21-18-28-10-4-5-13-34(28)42(30)40(29)26-32)48-45(47-43)33-24-25-39-37-16-7-6-14-35(37)36-15-8-9-17-38(36)41(39)27-33;1-2-10-36-35(5-1)22-38(34-9-4-8-30(20-34)33-15-18-41-43(24-33)48-26-46-41)37-16-13-27-11-12-31(21-39(27)44(36)37)28-6-3-7-29(19-28)32-14-17-40-42(23-32)47-25-45-40;1-3-11-29(12-4-1)31-21-23-45-41(27-31)39-25-33-19-20-34-26-40(42-28-32(22-24-46-42)30-13-5-2-6-14-30)36-16-8-10-18-38(36)44(34)43(33)37-17-9-7-15-35(37)39;1-2-8-38-27(5-1)9-12-29-13-10-28-11-14-32(26-39(28)42(29)38)37-24-35(30-15-17-40-33(21-30)6-3-19-43-40)23-36(25-37)31-16-18-41-34(22-31)7-4-20-44-41;1-2-6-31-24(4-1)9-14-34-32-13-10-27(20-28(32)11-15-33(31)34)30-21-29-17-19-40-23-36(29)35(22-30)37-16-12-26-8-7-25-5-3-18-41-38(25)39(26)42-37;1-2-10-25-23(9-1)15-16-28-30(36-42-22-44-38(46-36)32-14-6-8-18-40-32)20-24-19-29(26-11-3-4-12-27(26)33(24)34(25)28)35-41-21-43-37(45-35)31-13-5-7-17-39-31;1-2-6-26-21(4-1)9-14-29-27-13-11-25(20-24(27)10-15-28(26)29)34-36-19-17-31(38-34)30-16-12-23-8-7-22-5-3-18-35-32(22)33(23)37-30;1-34-19-32-29-16-15-24(18-30(29)34)28-8-4-7-27(33-28)23-14-11-21-10-13-22-12-9-20-5-2-3-6-25(20)31(22)26(21)17-23/h1-27H;1-26H;1-28H;1-26H;1-23H;1-22H;1-20H;2-19H,1H3
InChIKeyBJWOOTMKKIZIFD-UHFFFAOYSA-N
MW4444.35 g/mol
LogP82.21
Rot. Bonds24

About 2-benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine

2-benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine (PubChem CID 157372052) has the molecular formula C317H193N27S2 and a molecular weight of 4444.35 g/mol. Its IUPAC name is 2-benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine
PubChem CID157372052
Molecular FormulaC317H193N27S2
Molecular Weight4444.35 g/mol
Exact Mass4440.54
IUPAC Name2-benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine
SMILESCn1cnc2ccc(-c3cccc(-c4ccc5ccc6ccc7ccccc7c6c5c4)n3)cc21.c1cc(-c2ccc3ncsc3c2)cc(-c2ccc3ccc4c(-c5cccc(-c6ccc7ncsc7c6)c5)cc5ccccc5c4c3c2)c1.c1ccc(-c2ccnc(-c3cc4ccc5cc(-c6cc(-c7ccccc7)ccn6)c6ccccc6c5c4c4ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccc4ccc5ccc6ccccc6c5c4c3)n2)cc1.c1ccc(-c2ncnc(-c3cc4cc(-c5ncnc(-c6ccccn6)n5)c5ccc6ccccc6c5c4c4ccccc34)n2)nc1.c1ccc2c(c1)ccc1c3ccc(-c4cc(-c5ccc6ccc7cccnc7c6n5)c5cnccc5c4)cc3ccc21.c1ccc2c(c1)ccc1c3ccc(-c4nccc(-c5ccc6ccc7cccnc7c6n5)n4)cc3ccc21.c1cnc2ccc(-c3cc(-c4ccc5ncccc5c4)cc(-c4ccc5ccc6ccc7ccccc7c6c5c4)c3)cc2c1
InChIInChI=1S/C45H27N3.C44H26N2S2.C44H28N2.C42H26N2.C39H23N3.C38H22N8.C34H20N4.C31H21N3/c1-2-11-31(12-3-1)43-46-44(32-23-20-29-19-22-30-21-18-28-10-4-5-13-34(28)42(30)40(29)26-32)48-45(47-43)33-24-25-39-37-16-7-6-14-35(37)36-15-8-9-17-38(36)41(39)27-33;1-2-10-36-35(5-1)22-38(34-9-4-8-30(20-34)33-15-18-41-43(24-33)48-26-46-41)37-16-13-27-11-12-31(21-39(27)44(36)37)28-6-3-7-29(19-28)32-14-17-40-42(23-32)47-25-45-40;1-3-11-29(12-4-1)31-21-23-45-41(27-31)39-25-33-19-20-34-26-40(42-28-32(22-24-46-42)30-13-5-2-6-14-30)36-16-8-10-18-38(36)44(34)43(33)37-17-9-7-15-35(37)39;1-2-8-38-27(5-1)9-12-29-13-10-28-11-14-32(26-39(28)42(29)38)37-24-35(30-15-17-40-33(21-30)6-3-19-43-40)23-36(25-37)31-16-18-41-34(22-31)7-4-20-44-41;1-2-6-31-24(4-1)9-14-34-32-13-10-27(20-28(32)11-15-33(31)34)30-21-29-17-19-40-23-36(29)35(22-30)37-16-12-26-8-7-25-5-3-18-41-38(25)39(26)42-37;1-2-10-25-23(9-1)15-16-28-30(36-42-22-44-38(46-36)32-14-6-8-18-40-32)20-24-19-29(26-11-3-4-12-27(26)33(24)34(25)28)35-41-21-43-37(45-35)31-13-5-7-17-39-31;1-2-6-26-21(4-1)9-14-29-27-13-11-25(20-24(27)10-15-28(26)29)34-36-19-17-31(38-34)30-16-12-23-8-7-22-5-3-18-35-32(22)33(23)37-30;1-34-19-32-29-16-15-24(18-30(29)34)28-8-4-7-27(33-28)23-14-11-21-10-13-22-12-9-20-5-2-3-6-25(20)31(22)26(21)17-23/h1-27H;1-26H;1-28H;1-26H;1-23H;1-22H;1-20H;2-19H,1H3
InChIKeyBJWOOTMKKIZIFD-UHFFFAOYSA-N
XLogP82.21
TPSA340.07 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms346
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004444.35
LogP ≤ 582.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 2-benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine?
The IUPAC name of 2-benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine (CID 157372052) is 2-benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine.
What is the SMILES notation for 2-benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine?
The canonical SMILES for 2-benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine is Cn1cnc2ccc(-c3cccc(-c4ccc5ccc6ccc7ccccc7c6c5c4)n3)cc21.c1cc(-c2ccc3ncsc3c2)cc(-c2ccc3ccc4c(-c5cccc(-c6ccc7ncsc7c6)c5)cc5ccccc5c4c3c2)c1.c1ccc(-c2ccnc(-c3cc4ccc5cc(-c6cc(-c7ccccc7)ccn6)c6ccccc6c5c4c4ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccc4ccc5ccc6ccccc6c5c4c3)n2)cc1.c1ccc(-c2ncnc(-c3cc4cc(-c5ncnc(-c6ccccn6)n5)c5ccc6ccccc6c5c4c4ccccc34)n2)nc1.c1ccc2c(c1)ccc1c3ccc(-c4cc(-c5ccc6ccc7cccnc7c6n5)c5cnccc5c4)cc3ccc21.c1ccc2c(c1)ccc1c3ccc(-c4nccc(-c5ccc6ccc7cccnc7c6n5)n4)cc3ccc21.c1cnc2ccc(-c3cc(-c4ccc5ncccc5c4)cc(-c4ccc5ccc6ccc7ccccc7c6c5c4)c3)cc2c1.
What is the InChIKey of 2-benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine?
The InChIKey is BJWOOTMKKIZIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3.C44H26N2S2.C44H28N2.C42H26N2.C39H23N3.C38H22N8.C34H20N4.C31H21N3/c1-2-11-31(12-3-1)43-46-44(32-23-20-29-19-22-30-21-18-28-10-4-5-13-34(28)42(30)40(29)26-32)48-45(47-43)33-24-25-39-37-16-7-6-14-35(37)36-15-8-9-17-38(36)41(39)27-33;1-2-10-36-35(5-1)22-38(34-9-4-8-30(20-34)33-15-18-41-43(24-33)48-26-46-41)37-16-13-27-11-12-31(21-39(27)44(36)37)28-6-3-7-29(19-28)32-14-17-40-42(23-32)47-25-45-40;1-3-11-29(12-4-1)31-21-23-45-41(27-31)39-25-33-19-20-34-26-40(42-28-32(22-24-46-42)30-13-5-2-6-14-30)36-16-8-10-18-38(36)44(34)43(33)37-17-9-7-15-35(37)39;1-2-8-38-27(5-1)9-12-29-13-10-28-11-14-32(26-39(28)42(29)38)37-24-35(30-15-17-40-33(21-30)6-3-19-43-40)23-36(25-37)31-16-18-41-34(22-31)7-4-20-44-41;1-2-6-31-24(4-1)9-14-34-32-13-10-27(20-28(32)11-15-33(31)34)30-21-29-17-19-40-23-36(29)35(22-30)37-16-12-26-8-7-25-5-3-18-41-38(25)39(26)42-37;1-2-10-25-23(9-1)15-16-28-30(36-42-22-44-38(46-36)32-14-6-8-18-40-32)20-24-19-29(26-11-3-4-12-27(26)33(24)34(25)28)35-41-21-43-37(45-35)31-13-5-7-17-39-31;1-2-6-26-21(4-1)9-14-29-27-13-11-25(20-24(27)10-15-28(26)29)34-36-19-17-31(38-34)30-16-12-23-8-7-22-5-3-18-35-32(22)33(23)37-30;1-34-19-32-29-16-15-24(18-30(29)34)28-8-4-7-27(33-28)23-14-11-21-10-13-22-12-9-20-5-2-3-6-25(20)31(22)26(21)17-23/h1-27H;1-26H;1-28H;1-26H;1-23H;1-22H;1-20H;2-19H,1H3.
What are the key properties of 2-benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine?
2-benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine has a molecular weight of 4444.35 g/mol, XLogP of 82.21, 24 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine is sourced from PubChem (CID 157372052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).