5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole

C326H202N38 — CID 158403490

IUPAC5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole
SMILESc1cc(-c2ccncc2)cc(-n2nc3cc(-c4c5ccccc5c(-c5cncc6ccccc56)c5ccccc45)c4ccccc4c3n2)c1.c1ccc(-c2c3ccccc3c(-c3cc4nn(-c5ccc(-c6ccccn6)nc5)nc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4nn(-c5cccnc5)nc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4nn(-c5ccncc5)nc4c4ccccc34)c3ccccc23)cc1.c1cncc(-c2ccc(-n3nc4cc(-c5c6ccccc6c(-c6cccnc6)c6ccccc56)c5ccccc5c4n3)cc2)c1.c1cncc(-c2ccc(-n3nc4cc(-c5c6ccccc6c(-c6cnc7ccccc7c6)c6ccccc56)c5ccccc5c4n3)cc2)c1.c1cncc(-c2ccc(-n3nc4cc(-c5c6ccccc6c(-c6cncc7ccccc67)c6ccccc56)c5ccccc5c4n3)cc2)c1.c1cncc(-c2cccc(-n3nc4cc(-c5c6ccccc6c(-c6cnc7ccccc7c6)c6ccccc56)c5ccccc5c4n3)c2)c1
InChIInChI=1S/4C44H27N5.2C40H25N5.2C35H22N4/c1-8-21-40-29(11-1)23-31(27-46-40)42-34-16-3-5-18-36(34)43(37-19-6-4-17-35(37)42)39-25-41-44(38-20-7-2-15-33(38)39)48-49(47-41)32-14-9-12-28(24-32)30-13-10-22-45-26-30;1-8-18-40-29(10-1)24-31(27-46-40)42-34-13-3-5-15-36(34)43(37-16-6-4-14-35(37)42)39-25-41-44(38-17-7-2-12-33(38)39)48-49(47-41)32-21-19-28(20-22-32)30-11-9-23-45-26-30;1-2-13-32-30(10-1)26-46-27-40(32)43-36-17-6-4-15-34(36)42(35-16-5-7-18-37(35)43)39-25-41-44(38-19-8-3-14-33(38)39)48-49(47-41)31-12-9-11-29(24-31)28-20-22-45-23-21-28;1-2-12-32-30(10-1)26-46-27-40(32)43-36-16-6-4-14-34(36)42(35-15-5-7-17-37(35)43)39-24-41-44(38-18-8-3-13-33(38)39)48-49(47-41)31-21-19-28(20-22-31)29-11-9-23-45-25-29;1-6-16-35-30(11-1)36(23-37-40(35)44-45(43-37)29-19-17-26(18-20-29)27-9-7-21-41-24-27)39-33-14-4-2-12-31(33)38(28-10-8-22-42-25-28)32-13-3-5-15-34(32)39;1-2-12-26(13-3-1)38-29-15-5-7-17-31(29)39(32-18-8-6-16-30(32)38)34-24-37-40(33-19-9-4-14-28(33)34)44-45(43-37)27-21-22-36(42-25-27)35-20-10-11-23-41-35;1-2-11-23(12-3-1)33-26-15-5-7-17-28(26)34(29-18-8-6-16-27(29)33)31-21-32-35(30-19-9-4-14-25(30)31)38-39(37-32)24-13-10-20-36-22-24;1-2-10-23(11-3-1)33-26-13-5-7-15-28(26)34(29-16-8-6-14-27(29)33)31-22-32-35(30-17-9-4-12-25(30)31)38-39(37-32)24-18-20-36-21-19-24/h4*1-27H;2*1-25H;2*1-22H
InChIKeyGYJVTCMCJOWZJK-UHFFFAOYSA-N
MW4651.47 g/mol
LogP79.86
Rot. Bonds30

About 5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole

5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole (PubChem CID 158403490) has the molecular formula C326H202N38 and a molecular weight of 4651.47 g/mol. Its IUPAC name is 5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole.

Molecular Properties

Compound Name5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole
PubChem CID158403490
Molecular FormulaC326H202N38
Molecular Weight4651.47 g/mol
Exact Mass4647.70
IUPAC Name5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole
SMILESc1cc(-c2ccncc2)cc(-n2nc3cc(-c4c5ccccc5c(-c5cncc6ccccc56)c5ccccc45)c4ccccc4c3n2)c1.c1ccc(-c2c3ccccc3c(-c3cc4nn(-c5ccc(-c6ccccn6)nc5)nc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4nn(-c5cccnc5)nc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4nn(-c5ccncc5)nc4c4ccccc34)c3ccccc23)cc1.c1cncc(-c2ccc(-n3nc4cc(-c5c6ccccc6c(-c6cccnc6)c6ccccc56)c5ccccc5c4n3)cc2)c1.c1cncc(-c2ccc(-n3nc4cc(-c5c6ccccc6c(-c6cnc7ccccc7c6)c6ccccc56)c5ccccc5c4n3)cc2)c1.c1cncc(-c2ccc(-n3nc4cc(-c5c6ccccc6c(-c6cncc7ccccc67)c6ccccc56)c5ccccc5c4n3)cc2)c1.c1cncc(-c2cccc(-n3nc4cc(-c5c6ccccc6c(-c6cnc7ccccc7c6)c6ccccc56)c5ccccc5c4n3)c2)c1
InChIInChI=1S/4C44H27N5.2C40H25N5.2C35H22N4/c1-8-21-40-29(11-1)23-31(27-46-40)42-34-16-3-5-18-36(34)43(37-19-6-4-17-35(37)42)39-25-41-44(38-20-7-2-15-33(38)39)48-49(47-41)32-14-9-12-28(24-32)30-13-10-22-45-26-30;1-8-18-40-29(10-1)24-31(27-46-40)42-34-13-3-5-15-36(34)43(37-16-6-4-14-35(37)42)39-25-41-44(38-17-7-2-12-33(38)39)48-49(47-41)32-21-19-28(20-22-32)30-11-9-23-45-26-30;1-2-13-32-30(10-1)26-46-27-40(32)43-36-17-6-4-15-34(36)42(35-16-5-7-18-37(35)43)39-25-41-44(38-19-8-3-14-33(38)39)48-49(47-41)31-12-9-11-29(24-31)28-20-22-45-23-21-28;1-2-12-32-30(10-1)26-46-27-40(32)43-36-16-6-4-14-34(36)42(35-15-5-7-17-37(35)43)39-24-41-44(38-18-8-3-13-33(38)39)48-49(47-41)31-21-19-28(20-22-31)29-11-9-23-45-25-29;1-6-16-35-30(11-1)36(23-37-40(35)44-45(43-37)29-19-17-26(18-20-29)27-9-7-21-41-24-27)39-33-14-4-2-12-31(33)38(28-10-8-22-42-25-28)32-13-3-5-15-34(32)39;1-2-12-26(13-3-1)38-29-15-5-7-17-31(29)39(32-18-8-6-16-30(32)38)34-24-37-40(33-19-9-4-14-28(33)34)44-45(43-37)27-21-22-36(42-25-27)35-20-10-11-23-41-35;1-2-11-23(12-3-1)33-26-15-5-7-17-28(26)34(29-18-8-6-16-27(29)33)31-21-32-35(30-19-9-4-14-25(30)31)38-39(37-32)24-13-10-20-36-22-24;1-2-10-23(11-3-1)33-26-13-5-7-15-28(26)34(29-16-8-6-14-27(29)33)31-22-32-35(30-17-9-4-12-25(30)31)38-39(37-32)24-18-20-36-21-19-24/h4*1-27H;2*1-25H;2*1-22H
InChIKeyGYJVTCMCJOWZJK-UHFFFAOYSA-N
XLogP79.86
TPSA426.14 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms364
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004651.47
LogP ≤ 579.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole with MolForge

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Related Compounds

5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole
CID 118629742
4,6-bis(10-phenylanthracen-9-yl)-2-(3-pyridin-3-ylphenyl)benzotriazole;5-[3-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyridin-3-ylphenyl)benzotriazole;5-[4-(10-phenylanthracen-9-yl)phenyl]-2-(3-pyridin-3-ylphenyl)benzotriazole;5-[4-(10-phenylanthracen-9-yl)phenyl]-2-(3-pyridin-4-ylphenyl)benzotriazole;5-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyridin-3-ylphenyl)benzotriazole;5-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyridin-4-ylphenyl)benzotriazole
CID 157100757
5-(10-naphthalen-2-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole
CID 118629727
5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole
CID 118629755
5-(9,10-diphenylanthracen-2-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole
CID 141416223
4,6-di(phenanthren-2-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-(4-pyridin-3-ylphenyl)benzotriazol-4-yl]carbazole;3-[10-[2-(4-pyridin-3-ylphenyl)benzotriazol-5-yl]anthracen-9-yl]quinoline
CID 159789191
5-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole
CID 118631091
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-[3-[3-phenyl-10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;5-[2-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-2-ylpyridine
CID 158885714
4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole
CID 158708444
4,6-bis(3,5-diphenylphenyl)-2-pyridin-4-ylbenzotriazole;4,6-bis(4-phenylphenyl)-2-pyridin-4-ylbenzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-2-pyridinyl)benzotriazole
CID 159612915
4,6-dinaphthalen-1-yl-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole
CID 121381795
3-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzotriazol-2-yl]naphthalen-1-yl]quinoline;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(4-pyridin-3-ylnaphthalen-1-yl)benzotriazole;4-[4-[5-(9,10-diphenylanthracen-2-yl)benzotriazol-2-yl]naphthalen-1-yl]isoquinoline;3-[4-[5-(9,10-diphenylanthracen-2-yl)benzotriazol-2-yl]naphthalen-1-yl]quinoline;5-(9,10-diphenylanthracen-2-yl)-2-(4-pyridin-3-ylnaphthalen-1-yl)benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-(4-pyridin-3-ylnaphthalen-1-yl)benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-pyridin-3-ylnaphthalen-1-yl)benzotriazole;5-(10-phenylanthracen-9-yl)-2-(4-pyridin-3-ylnaphthalen-1-yl)benzotriazole
CID 160980195

Frequently Asked Questions

What is the IUPAC name of 5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole?
The IUPAC name of 5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole (CID 158403490) is 5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole.
What is the SMILES notation for 5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole?
The canonical SMILES for 5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole is c1cc(-c2ccncc2)cc(-n2nc3cc(-c4c5ccccc5c(-c5cncc6ccccc56)c5ccccc45)c4ccccc4c3n2)c1.c1ccc(-c2c3ccccc3c(-c3cc4nn(-c5ccc(-c6ccccn6)nc5)nc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4nn(-c5cccnc5)nc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4nn(-c5ccncc5)nc4c4ccccc34)c3ccccc23)cc1.c1cncc(-c2ccc(-n3nc4cc(-c5c6ccccc6c(-c6cccnc6)c6ccccc56)c5ccccc5c4n3)cc2)c1.c1cncc(-c2ccc(-n3nc4cc(-c5c6ccccc6c(-c6cnc7ccccc7c6)c6ccccc56)c5ccccc5c4n3)cc2)c1.c1cncc(-c2ccc(-n3nc4cc(-c5c6ccccc6c(-c6cncc7ccccc67)c6ccccc56)c5ccccc5c4n3)cc2)c1.c1cncc(-c2cccc(-n3nc4cc(-c5c6ccccc6c(-c6cnc7ccccc7c6)c6ccccc56)c5ccccc5c4n3)c2)c1.
What is the InChIKey of 5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole?
The InChIKey is GYJVTCMCJOWZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C44H27N5.2C40H25N5.2C35H22N4/c1-8-21-40-29(11-1)23-31(27-46-40)42-34-16-3-5-18-36(34)43(37-19-6-4-17-35(37)42)39-25-41-44(38-20-7-2-15-33(38)39)48-49(47-41)32-14-9-12-28(24-32)30-13-10-22-45-26-30;1-8-18-40-29(10-1)24-31(27-46-40)42-34-13-3-5-15-36(34)43(37-16-6-4-14-35(37)42)39-25-41-44(38-17-7-2-12-33(38)39)48-49(47-41)32-21-19-28(20-22-32)30-11-9-23-45-26-30;1-2-13-32-30(10-1)26-46-27-40(32)43-36-17-6-4-15-34(36)42(35-16-5-7-18-37(35)43)39-25-41-44(38-19-8-3-14-33(38)39)48-49(47-41)31-12-9-11-29(24-31)28-20-22-45-23-21-28;1-2-12-32-30(10-1)26-46-27-40(32)43-36-16-6-4-14-34(36)42(35-15-5-7-17-37(35)43)39-24-41-44(38-18-8-3-13-33(38)39)48-49(47-41)31-21-19-28(20-22-31)29-11-9-23-45-25-29;1-6-16-35-30(11-1)36(23-37-40(35)44-45(43-37)29-19-17-26(18-20-29)27-9-7-21-41-24-27)39-33-14-4-2-12-31(33)38(28-10-8-22-42-25-28)32-13-3-5-15-34(32)39;1-2-12-26(13-3-1)38-29-15-5-7-17-31(29)39(32-18-8-6-16-30(32)38)34-24-37-40(33-19-9-4-14-28(33)34)44-45(43-37)27-21-22-36(42-25-27)35-20-10-11-23-41-35;1-2-11-23(12-3-1)33-26-15-5-7-17-28(26)34(29-18-8-6-16-27(29)33)31-21-32-35(30-19-9-4-14-25(30)31)38-39(37-32)24-13-10-20-36-22-24;1-2-10-23(11-3-1)33-26-13-5-7-15-28(26)34(29-16-8-6-14-27(29)33)31-22-32-35(30-17-9-4-12-25(30)31)38-39(37-32)24-18-20-36-21-19-24/h4*1-27H;2*1-25H;2*1-22H.
What are the key properties of 5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole?
5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole has a molecular weight of 4651.47 g/mol, XLogP of 79.86, 30 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole;5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-3-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-pyridin-4-ylbenzo[e]benzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-3-pyridinyl)benzo[e]benzotriazole;5-(10-pyridin-3-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole;2-(3-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole;2-(4-pyridin-3-ylphenyl)-5-(10-quinolin-3-ylanthracen-9-yl)benzo[e]benzotriazole is sourced from PubChem (CID 158403490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).