22-[3-[10-(1,10-phenanthrolin-4-yl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[8-(1,10-phenanthrolin-4-yl)benzo[f]quinolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)quinolin-3-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

C303H177N21 — CID 159960190

IUPAC22-[3-[10-(1,10-phenanthrolin-4-yl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[8-(1,10-phenanthrolin-4-yl)benzo[f]quinolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)quinolin-3-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESc1cc(-c2c3ccccc3c(-c3ccnc4c3ccc3cccnc34)c3ccccc23)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1.c1cc(-c2ccc(-c3ccnc4c3ccc3cccnc34)c3cccnc23)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1.c1cc(-c2ccc3c(ccc4cc(-c5ccnc6c5ccc5cccnc56)ccc43)c2)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1.c1cc(-c2ccc3cc(-c4ccnc5c4ccc4cccnc45)ccc3c2)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1.c1cc(-c2cnc3ccc(-c4ccnc5c4ccc4cccnc45)cc3c2)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1.c1cc(-c2cnc3ccc4cc(-c5ccnc6c5ccc5cccnc56)ccc4c3c2)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1
InChIInChI=1S/2C53H31N3.C52H30N4.C49H29N3.2C48H28N4/c1-3-18-37-35(16-1)36-17-2-4-19-38(36)50-49(37)45-24-9-10-25-46(45)56-51(50)34-14-11-13-33(31-34)47-39-20-5-7-22-41(39)48(42-23-8-6-21-40(42)47)43-28-30-55-53-44(43)27-26-32-15-12-29-54-52(32)53;1-3-14-44-42(12-1)43-13-2-4-15-45(43)50-49(44)47-16-5-6-17-48(47)56-51(50)38-10-7-9-33(30-38)34-21-23-39-35(29-34)18-19-36-31-37(22-24-40(36)39)41-26-28-55-53-46(41)25-20-32-11-8-27-54-52(32)53;1-3-14-41-39(12-1)40-13-2-4-15-42(40)49-48(41)44-16-5-6-17-47(44)56-50(49)35-10-7-9-32(27-35)36-29-45-37-21-19-33(28-34(37)20-23-46(45)55-30-36)38-24-26-54-52-43(38)22-18-31-11-8-25-53-51(31)52;1-3-14-40-38(12-1)39-13-2-4-15-41(39)46-45(40)43-16-5-6-17-44(43)52-47(46)36-10-7-9-31(29-36)32-18-19-34-28-35(21-20-33(34)27-32)37-24-26-51-49-42(37)23-22-30-11-8-25-50-48(30)49;1-3-15-37-33(13-1)34-14-2-4-16-38(34)44-43(37)41-17-5-6-19-42(41)52-45(44)31-11-7-10-30(28-31)32-22-23-35(39-18-9-26-50-47(32)39)36-24-27-51-48-40(36)21-20-29-12-8-25-49-46(29)48;1-3-14-38-36(12-1)37-13-2-4-15-39(37)45-44(38)41-16-5-6-17-43(41)52-46(45)32-10-7-9-30(25-32)34-27-33-26-31(19-21-42(33)51-28-34)35-22-24-50-48-40(35)20-18-29-11-8-23-49-47(29)48/h2*1-31H;1-30H;1-29H;2*1-28H
InChIKeyODFOTBUFFXIXGD-UHFFFAOYSA-N
MW4111.90 g/mol
LogP79.31
Rot. Bonds18

About 22-[3-[10-(1,10-phenanthrolin-4-yl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[8-(1,10-phenanthrolin-4-yl)benzo[f]quinolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)quinolin-3-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

22-[3-[10-(1,10-phenanthrolin-4-yl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[8-(1,10-phenanthrolin-4-yl)benzo[f]quinolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)quinolin-3-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (PubChem CID 159960190) has the molecular formula C303H177N21 and a molecular weight of 4111.90 g/mol. Its IUPAC name is 22-[3-[10-(1,10-phenanthrolin-4-yl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[8-(1,10-phenanthrolin-4-yl)benzo[f]quinolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)quinolin-3-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.

Molecular Properties

Compound Name22-[3-[10-(1,10-phenanthrolin-4-yl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[8-(1,10-phenanthrolin-4-yl)benzo[f]quinolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)quinolin-3-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
PubChem CID159960190
Molecular FormulaC303H177N21
Molecular Weight4111.90 g/mol
Exact Mass4108.45
IUPAC Name22-[3-[10-(1,10-phenanthrolin-4-yl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[8-(1,10-phenanthrolin-4-yl)benzo[f]quinolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)quinolin-3-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESc1cc(-c2c3ccccc3c(-c3ccnc4c3ccc3cccnc34)c3ccccc23)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1.c1cc(-c2ccc(-c3ccnc4c3ccc3cccnc34)c3cccnc23)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1.c1cc(-c2ccc3c(ccc4cc(-c5ccnc6c5ccc5cccnc56)ccc43)c2)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1.c1cc(-c2ccc3cc(-c4ccnc5c4ccc4cccnc45)ccc3c2)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1.c1cc(-c2cnc3ccc(-c4ccnc5c4ccc4cccnc45)cc3c2)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1.c1cc(-c2cnc3ccc4cc(-c5ccnc6c5ccc5cccnc56)ccc4c3c2)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1
InChIInChI=1S/2C53H31N3.C52H30N4.C49H29N3.2C48H28N4/c1-3-18-37-35(16-1)36-17-2-4-19-38(36)50-49(37)45-24-9-10-25-46(45)56-51(50)34-14-11-13-33(31-34)47-39-20-5-7-22-41(39)48(42-23-8-6-21-40(42)47)43-28-30-55-53-44(43)27-26-32-15-12-29-54-52(32)53;1-3-14-44-42(12-1)43-13-2-4-15-45(43)50-49(44)47-16-5-6-17-48(47)56-51(50)38-10-7-9-33(30-38)34-21-23-39-35(29-34)18-19-36-31-37(22-24-40(36)39)41-26-28-55-53-46(41)25-20-32-11-8-27-54-52(32)53;1-3-14-41-39(12-1)40-13-2-4-15-42(40)49-48(41)44-16-5-6-17-47(44)56-50(49)35-10-7-9-32(27-35)36-29-45-37-21-19-33(28-34(37)20-23-46(45)55-30-36)38-24-26-54-52-43(38)22-18-31-11-8-25-53-51(31)52;1-3-14-40-38(12-1)39-13-2-4-15-41(39)46-45(40)43-16-5-6-17-44(43)52-47(46)36-10-7-9-31(29-36)32-18-19-34-28-35(21-20-33(34)27-32)37-24-26-51-49-42(37)23-22-30-11-8-25-50-48(30)49;1-3-15-37-33(13-1)34-14-2-4-16-38(34)44-43(37)41-17-5-6-19-42(41)52-45(44)31-11-7-10-30(28-31)32-22-23-35(39-18-9-26-50-47(32)39)36-24-27-51-48-40(36)21-20-29-12-8-25-49-46(29)48;1-3-14-38-36(12-1)37-13-2-4-15-39(37)45-44(38)41-16-5-6-17-43(41)52-46(45)32-10-7-9-30(25-32)34-27-33-26-31(19-21-42(33)51-28-34)35-22-24-50-48-40(35)20-18-29-11-8-23-49-47(29)48/h2*1-31H;1-30H;1-29H;2*1-28H
InChIKeyODFOTBUFFXIXGD-UHFFFAOYSA-N
XLogP79.31
TPSA270.69 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms324
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004111.90
LogP ≤ 579.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 22-[3-[10-(1,10-phenanthrolin-4-yl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[8-(1,10-phenanthrolin-4-yl)benzo[f]quinolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)quinolin-3-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 22-[3-[10-(1,10-phenanthrolin-4-yl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[8-(1,10-phenanthrolin-4-yl)benzo[f]quinolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)quinolin-3-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The IUPAC name of 22-[3-[10-(1,10-phenanthrolin-4-yl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[8-(1,10-phenanthrolin-4-yl)benzo[f]quinolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)quinolin-3-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (CID 159960190) is 22-[3-[10-(1,10-phenanthrolin-4-yl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[8-(1,10-phenanthrolin-4-yl)benzo[f]quinolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)quinolin-3-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.
What is the SMILES notation for 22-[3-[10-(1,10-phenanthrolin-4-yl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[8-(1,10-phenanthrolin-4-yl)benzo[f]quinolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)quinolin-3-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The canonical SMILES for 22-[3-[10-(1,10-phenanthrolin-4-yl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[8-(1,10-phenanthrolin-4-yl)benzo[f]quinolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)quinolin-3-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is c1cc(-c2c3ccccc3c(-c3ccnc4c3ccc3cccnc34)c3ccccc23)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1.c1cc(-c2ccc(-c3ccnc4c3ccc3cccnc34)c3cccnc23)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1.c1cc(-c2ccc3c(ccc4cc(-c5ccnc6c5ccc5cccnc56)ccc43)c2)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1.c1cc(-c2ccc3cc(-c4ccnc5c4ccc4cccnc45)ccc3c2)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1.c1cc(-c2cnc3ccc(-c4ccnc5c4ccc4cccnc45)cc3c2)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1.c1cc(-c2cnc3ccc4cc(-c5ccnc6c5ccc5cccnc56)ccc4c3c2)cc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)c1.
What is the InChIKey of 22-[3-[10-(1,10-phenanthrolin-4-yl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[8-(1,10-phenanthrolin-4-yl)benzo[f]quinolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)quinolin-3-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The InChIKey is ODFOTBUFFXIXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H31N3.C52H30N4.C49H29N3.2C48H28N4/c1-3-18-37-35(16-1)36-17-2-4-19-38(36)50-49(37)45-24-9-10-25-46(45)56-51(50)34-14-11-13-33(31-34)47-39-20-5-7-22-41(39)48(42-23-8-6-21-40(42)47)43-28-30-55-53-44(43)27-26-32-15-12-29-54-52(32)53;1-3-14-44-42(12-1)43-13-2-4-15-45(43)50-49(44)47-16-5-6-17-48(47)56-51(50)38-10-7-9-33(30-38)34-21-23-39-35(29-34)18-19-36-31-37(22-24-40(36)39)41-26-28-55-53-46(41)25-20-32-11-8-27-54-52(32)53;1-3-14-41-39(12-1)40-13-2-4-15-42(40)49-48(41)44-16-5-6-17-47(44)56-50(49)35-10-7-9-32(27-35)36-29-45-37-21-19-33(28-34(37)20-23-46(45)55-30-36)38-24-26-54-52-43(38)22-18-31-11-8-25-53-51(31)52;1-3-14-40-38(12-1)39-13-2-4-15-41(39)46-45(40)43-16-5-6-17-44(43)52-47(46)36-10-7-9-31(29-36)32-18-19-34-28-35(21-20-33(34)27-32)37-24-26-51-49-42(37)23-22-30-11-8-25-50-48(30)49;1-3-15-37-33(13-1)34-14-2-4-16-38(34)44-43(37)41-17-5-6-19-42(41)52-45(44)31-11-7-10-30(28-31)32-22-23-35(39-18-9-26-50-47(32)39)36-24-27-51-48-40(36)21-20-29-12-8-25-49-46(29)48;1-3-14-38-36(12-1)37-13-2-4-15-39(37)45-44(38)41-16-5-6-17-43(41)52-46(45)32-10-7-9-30(25-32)34-27-33-26-31(19-21-42(33)51-28-34)35-22-24-50-48-40(35)20-18-29-11-8-23-49-47(29)48/h2*1-31H;1-30H;1-29H;2*1-28H.
What are the key properties of 22-[3-[10-(1,10-phenanthrolin-4-yl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[8-(1,10-phenanthrolin-4-yl)benzo[f]quinolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)quinolin-3-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
22-[3-[10-(1,10-phenanthrolin-4-yl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[8-(1,10-phenanthrolin-4-yl)benzo[f]quinolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)quinolin-3-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene has a molecular weight of 4111.90 g/mol, XLogP of 79.31, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 22-[3-[10-(1,10-phenanthrolin-4-yl)anthracen-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[8-(1,10-phenanthrolin-4-yl)benzo[f]quinolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-[6-(1,10-phenanthrolin-4-yl)quinolin-3-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is sourced from PubChem (CID 159960190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).