2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline

C243H143N29 — CID 159352760

IUPAC2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline
SMILESc1cc(-c2ccnc(-c3ccc4c(ccc5cc(-c6cc(-c7cccc8ncccc78)ccn6)c6ccccc6c54)c3)c2)c2cccnc2c1.c1cc(-c2ccnc(-c3ccc4c(ccc5cc(-c6nccc(-c7ccc8cnccc8c7)n6)c6ccccc6c54)c3)n2)c2cccnc2c1.c1ccc2c(c1)ccc1cc(-c3cc(-c4ccc5ccc6cccnc6c5n4)c4cnccc4c3)c3ccccc3c12.c1ccc2c(c1)ccc1cc(-c3ccc(-c4cnc5c(ccc6cccnc65)c4)c4cccnc34)c3ccccc3c12.c1ccc2c(c1)ccc1cc(-c3ncnc(-c4ccc5ccc6cccnc6c5n4)n3)c3ccccc3c12.c1ccc2ncc(-c3ncnc(-c4ccc5c(ccc6cc(-c7ncnc(-c8cnc9ccccc9c8)n7)c7ccccc7c65)c4)n3)cc2c1
InChIInChI=1S/C46H28N4.C44H26N6.C42H24N8.2C39H23N3.C33H19N5/c1-2-8-40-37(7-1)41(45-28-31(20-24-50-45)35-10-4-14-43-39(35)12-6-22-48-43)26-33-16-15-29-25-32(17-18-36(29)46(33)40)44-27-30(19-23-49-44)34-9-3-13-42-38(34)11-5-21-47-42;1-2-6-37-34(5-1)38(44-48-21-17-39(49-44)29-11-13-32-26-45-20-16-27(32)23-29)25-30-12-10-28-24-31(14-15-33(28)42(30)37)43-47-22-18-41(50-43)36-7-3-9-40-35(36)8-4-19-46-40;1-5-11-36-26(7-1)18-30(21-43-36)40-46-23-45-39(49-40)29-15-16-32-25(17-29)13-14-28-20-35(33-9-3-4-10-34(33)38(28)32)42-48-24-47-41(50-42)31-19-27-8-2-6-12-37(27)44-22-31;1-2-9-30-24(7-1)13-15-26-22-35(31-10-3-4-11-32(31)36(26)30)34-18-17-29(33-12-6-20-41-39(33)34)28-21-27-16-14-25-8-5-19-40-37(25)38(27)42-23-28;1-2-8-30-24(6-1)11-14-28-21-33(31-9-3-4-10-32(31)37(28)30)29-20-27-17-19-40-23-35(27)34(22-29)36-16-15-26-13-12-25-7-5-18-41-38(25)39(26)42-36;1-2-8-24-20(6-1)11-14-23-18-27(25-9-3-4-10-26(25)29(23)24)32-35-19-36-33(38-32)28-16-15-22-13-12-21-7-5-17-34-30(21)31(22)37-28/h1-28H;1-26H;1-24H;2*1-23H;1-19H
InChIKeyLHNPMZJBYNJQNM-UHFFFAOYSA-N
MW3469.02 g/mol
LogP59.48
Rot. Bonds18

About 2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline

2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline (PubChem CID 159352760) has the molecular formula C243H143N29 and a molecular weight of 3469.02 g/mol. Its IUPAC name is 2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline.

Molecular Properties

Compound Name2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline
PubChem CID159352760
Molecular FormulaC243H143N29
Molecular Weight3469.02 g/mol
Exact Mass3466.21
IUPAC Name2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline
SMILESc1cc(-c2ccnc(-c3ccc4c(ccc5cc(-c6cc(-c7cccc8ncccc78)ccn6)c6ccccc6c54)c3)c2)c2cccnc2c1.c1cc(-c2ccnc(-c3ccc4c(ccc5cc(-c6nccc(-c7ccc8cnccc8c7)n6)c6ccccc6c54)c3)n2)c2cccnc2c1.c1ccc2c(c1)ccc1cc(-c3cc(-c4ccc5ccc6cccnc6c5n4)c4cnccc4c3)c3ccccc3c12.c1ccc2c(c1)ccc1cc(-c3ccc(-c4cnc5c(ccc6cccnc65)c4)c4cccnc34)c3ccccc3c12.c1ccc2c(c1)ccc1cc(-c3ncnc(-c4ccc5ccc6cccnc6c5n4)n3)c3ccccc3c12.c1ccc2ncc(-c3ncnc(-c4ccc5c(ccc6cc(-c7ncnc(-c8cnc9ccccc9c8)n7)c7ccccc7c65)c4)n3)cc2c1
InChIInChI=1S/C46H28N4.C44H26N6.C42H24N8.2C39H23N3.C33H19N5/c1-2-8-40-37(7-1)41(45-28-31(20-24-50-45)35-10-4-14-43-39(35)12-6-22-48-43)26-33-16-15-29-25-32(17-18-36(29)46(33)40)44-27-30(19-23-49-44)34-9-3-13-42-38(34)11-5-21-47-42;1-2-6-37-34(5-1)38(44-48-21-17-39(49-44)29-11-13-32-26-45-20-16-27(32)23-29)25-30-12-10-28-24-31(14-15-33(28)42(30)37)43-47-22-18-41(50-43)36-7-3-9-40-35(36)8-4-19-46-40;1-5-11-36-26(7-1)18-30(21-43-36)40-46-23-45-39(49-40)29-15-16-32-25(17-29)13-14-28-20-35(33-9-3-4-10-34(33)38(28)32)42-48-24-47-41(50-42)31-19-27-8-2-6-12-37(27)44-22-31;1-2-9-30-24(7-1)13-15-26-22-35(31-10-3-4-11-32(31)36(26)30)34-18-17-29(33-12-6-20-41-39(33)34)28-21-27-16-14-25-8-5-19-40-37(25)38(27)42-23-28;1-2-8-30-24(6-1)11-14-28-21-33(31-9-3-4-10-32(31)37(28)30)29-20-27-17-19-40-23-35(27)34(22-29)36-16-15-26-13-12-25-7-5-18-41-38(25)39(26)42-36;1-2-8-24-20(6-1)11-14-23-18-27(25-9-3-4-10-26(25)29(23)24)32-35-19-36-33(38-32)28-16-15-22-13-12-21-7-5-17-34-30(21)31(22)37-28/h1-28H;1-26H;1-24H;2*1-23H;1-19H
InChIKeyLHNPMZJBYNJQNM-UHFFFAOYSA-N
XLogP59.48
TPSA373.81 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003469.02
LogP ≤ 559.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline with MolForge

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Related Compounds

2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline
CID 159408634
2-chrysen-2-ylbenzo[h]quinoline;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;6-chrysen-2-yl-1-methylbenzimidazole;7-chrysen-2-yl-1-methylbenzimidazole;3-(4-chrysen-2-ylnaphthalen-1-yl)-1,10-phenanthroline;6-(3-chrysen-2-ylphenyl)isoquinoline;2-chrysen-2-ylpyridine;bis(7-(2-chrysen-2-yl-4-pyridinyl)quinoline);2-chrysen-2-ylpyrimidine;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;2-chrysen-2-yl-1,3,5-triazine;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline
CID 158201598
2-[6-[6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)naphthalen-2-yl]naphthalen-2-yl]-1,3,5-triazine;6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-8-phenylisoquinoline;2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-(6-phenylnaphthalen-1-yl)pyrimidine;7-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-pyridinyl]quinoline;2-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)pyrimidin-4-yl]-1,10-phenanthroline;2-[4-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline
CID 161176124
9-benzo[c]phenanthren-2-ylbenzo[h]quinoline;6-benzo[c]phenanthren-2-yl-8-phenylisoquinoline;2-benzo[c]phenanthren-2-yl-4-phenyl-1,3,5-triazine;7-(2-benzo[c]phenanthren-2-yl-4-pyridinyl)quinoline;7-[2-(1,3-benzothiazol-7-yl)benzo[c]phenanthren-7-yl]-1,3-benzothiazole;methane;1-methyl-7-[1-(3-methylbenzimidazol-4-yl)benzo[c]phenanthren-7-yl]benzimidazole;2-pyridin-2-yl-4-[2-(4-pyridin-2-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-7-yl]-1,3,5-triazine
CID 159592553
2-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazine;6-(7-isoquinolin-6-yltriphenylen-2-yl)isoquinoline;6-(6-naphthalen-2-yl-10-quinolin-6-yltriphenylen-2-yl)quinoline;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-[6-(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazine;2-triphenylen-2-ylbenzo[h]quinoline;9-triphenylen-2-ylbenzo[h]quinoline
CID 158790436
2-benzo[c]phenanthren-2-ylbenzo[h]quinoline;9-benzo[c]phenanthren-2-ylbenzo[h]quinoline;9-(4-benzo[c]phenanthren-5-yl-6-carbazol-9-yl-1,3,5-triazin-2-yl)carbazole;6-benzo[c]phenanthren-2-yl-8-phenylisoquinoline;2-benzo[c]phenanthren-2-yl-4-phenyl-1,3,5-triazine;2-benzo[c]phenanthren-2-ylpyrimidine;9-(4-benzo[c]phenanthren-5-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;7-[2-(1,3-benzothiazol-7-yl)benzo[c]phenanthren-7-yl]-1,3-benzothiazole;6-(2-isoquinolin-6-ylbenzo[c]phenanthren-7-yl)isoquinoline;1-methyl-7-[1-(3-methylbenzimidazol-4-yl)benzo[c]phenanthren-7-yl]benzimidazole;2-[2-(1,3,5-triazin-2-yl)benzo[c]phenanthren-7-yl]-1,3,5-triazine
CID 159896596
2-[4-[11-[6-[3-[6-(15-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaenyl)quinolin-3-yl]phenyl]naphthalen-2-yl]-19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9(14),10,12,16(24),17,19,21-dodecaenyl]-1,3,5-triazin-2-yl]-1,10-phenanthroline
CID 137458532
5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline
CID 159404052
2-[4-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 157057825
2-(6-chrysen-2-ylisoquinolin-8-yl)-8-[2-[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]benzo[c]phenanthren-7-yl]-1,10-phenanthroline
CID 137458955
2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 129208813
2-[4-[6-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023293

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline?
The IUPAC name of 2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline (CID 159352760) is 2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline.
What is the SMILES notation for 2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline?
The canonical SMILES for 2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline is c1cc(-c2ccnc(-c3ccc4c(ccc5cc(-c6cc(-c7cccc8ncccc78)ccn6)c6ccccc6c54)c3)c2)c2cccnc2c1.c1cc(-c2ccnc(-c3ccc4c(ccc5cc(-c6nccc(-c7ccc8cnccc8c7)n6)c6ccccc6c54)c3)n2)c2cccnc2c1.c1ccc2c(c1)ccc1cc(-c3cc(-c4ccc5ccc6cccnc6c5n4)c4cnccc4c3)c3ccccc3c12.c1ccc2c(c1)ccc1cc(-c3ccc(-c4cnc5c(ccc6cccnc65)c4)c4cccnc34)c3ccccc3c12.c1ccc2c(c1)ccc1cc(-c3ncnc(-c4ccc5ccc6cccnc6c5n4)n3)c3ccccc3c12.c1ccc2ncc(-c3ncnc(-c4ccc5c(ccc6cc(-c7ncnc(-c8cnc9ccccc9c8)n7)c7ccccc7c65)c4)n3)cc2c1.
What is the InChIKey of 2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline?
The InChIKey is LHNPMZJBYNJQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4.C44H26N6.C42H24N8.2C39H23N3.C33H19N5/c1-2-8-40-37(7-1)41(45-28-31(20-24-50-45)35-10-4-14-43-39(35)12-6-22-48-43)26-33-16-15-29-25-32(17-18-36(29)46(33)40)44-27-30(19-23-49-44)34-9-3-13-42-38(34)11-5-21-47-42;1-2-6-37-34(5-1)38(44-48-21-17-39(49-44)29-11-13-32-26-45-20-16-27(32)23-29)25-30-12-10-28-24-31(14-15-33(28)42(30)37)43-47-22-18-41(50-43)36-7-3-9-40-35(36)8-4-19-46-40;1-5-11-36-26(7-1)18-30(21-43-36)40-46-23-45-39(49-40)29-15-16-32-25(17-29)13-14-28-20-35(33-9-3-4-10-34(33)38(28)32)42-48-24-47-41(50-42)31-19-27-8-2-6-12-37(27)44-22-31;1-2-9-30-24(7-1)13-15-26-22-35(31-10-3-4-11-32(31)36(26)30)34-18-17-29(33-12-6-20-41-39(33)34)28-21-27-16-14-25-8-5-19-40-37(25)38(27)42-23-28;1-2-8-30-24(6-1)11-14-28-21-33(31-9-3-4-10-32(31)37(28)30)29-20-27-17-19-40-23-35(27)34(22-29)36-16-15-26-13-12-25-7-5-18-41-38(25)39(26)42-36;1-2-8-24-20(6-1)11-14-23-18-27(25-9-3-4-10-26(25)29(23)24)32-35-19-36-33(38-32)28-16-15-22-13-12-21-7-5-17-34-30(21)31(22)37-28/h1-28H;1-26H;1-24H;2*1-23H;1-19H.
What are the key properties of 2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline?
2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline has a molecular weight of 3469.02 g/mol, XLogP of 59.48, 18 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline is sourced from PubChem (CID 159352760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).