lithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile

C298H198IrLiN21O — CID 157432047

IUPAClithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21.CC1(C)c2cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21.CC1(C)c2ccc(-c3cccc(-c4ccc5ccc6cccc7ccc4c5c67)c3)cc2-c2cc3c4ccccc4c4ccccc4c3cc21.Cc1cccc(N(c2cccc(C)c2)c2ccc3ccc4c(N(c5cccc(C)c5)c5cccc(C)c5)ccc5ccc2c3c54)c1.[C-]#[N+]c1nc2c(nc1C#N)c1nc(C#N)c(C#N)nc1c1nc([N+]#[C-])c([N+]#[C-])nc21.[Ir].[Li+].[O-]c1cccc2ccc[nH+]c12.[c-]1ccccc1-c1ccccn1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C66H45N3.C57H38.C49H32.C44H36N2.C44H32N2.C18N12.C11H8N.C9H7NO.Ir.Li/c1-66(2)61-39-46(31-32-57(61)60-40-58-55-29-17-15-27-53(55)54-28-16-18-30-56(54)59(58)41-62(60)66)63-67-64(51-35-47(42-19-7-3-8-20-42)33-48(36-51)43-21-9-4-10-22-43)69-65(68-63)52-37-49(44-23-11-5-12-24-44)34-50(38-52)45-25-13-6-14-26-45;1-57(2)53-32-38(30-31-45(53)52-33-50-43-19-7-5-17-41(43)42-18-6-8-20-44(42)51(50)34-54(52)57)56-48-23-11-9-21-46(48)55(47-22-10-12-24-49(47)56)37-28-26-36(27-29-37)40-25-13-15-35-14-3-4-16-39(35)40;1-49(2)45-24-21-33(26-43(45)44-27-41-38-15-5-3-13-36(38)37-14-4-6-16-39(37)42(41)28-46(44)49)32-11-8-12-34(25-32)35-22-19-31-18-17-29-9-7-10-30-20-23-40(35)48(31)47(29)30;1-29-9-5-13-35(25-29)45(36-14-6-10-30(2)26-36)41-23-19-33-18-22-40-42(24-20-34-17-21-39(41)43(33)44(34)40)46(37-15-7-11-31(3)27-37)38-16-8-12-32(4)28-38;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;1-22-16-9(6-21)27-12-10-11(26-8(5-20)7(4-19)25-10)14-15(13(12)28-16)30-18(24-3)17(23-2)29-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-8-5-1-3-7-4-2-6-10-9(7)8;;/h3-41H,1-2H3;3-34H,1-2H3;3-28H,1-2H3;5-28H,1-4H3;1-32H;;1-6,8-9H;1-6,11H;;/q;;;;;;-1;;;+1
InChIKeyDVAJGTFFMIPZTO-UHFFFAOYSA-N
MW4288.17 g/mol
LogP75.32
Rot. Bonds26

About lithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile

lithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile (PubChem CID 157432047) has the molecular formula C298H198IrLiN21O and a molecular weight of 4288.17 g/mol. Its IUPAC name is lithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile.

Molecular Properties

Compound Namelithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile
PubChem CID157432047
Molecular FormulaC298H198IrLiN21O
Molecular Weight4288.17 g/mol
Exact Mass4285.59
IUPAC Namelithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21.CC1(C)c2cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21.CC1(C)c2ccc(-c3cccc(-c4ccc5ccc6cccc7ccc4c5c67)c3)cc2-c2cc3c4ccccc4c4ccccc4c3cc21.Cc1cccc(N(c2cccc(C)c2)c2ccc3ccc4c(N(c5cccc(C)c5)c5cccc(C)c5)ccc5ccc2c3c54)c1.[C-]#[N+]c1nc2c(nc1C#N)c1nc(C#N)c(C#N)nc1c1nc([N+]#[C-])c([N+]#[C-])nc21.[Ir].[Li+].[O-]c1cccc2ccc[nH+]c12.[c-]1ccccc1-c1ccccn1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C66H45N3.C57H38.C49H32.C44H36N2.C44H32N2.C18N12.C11H8N.C9H7NO.Ir.Li/c1-66(2)61-39-46(31-32-57(61)60-40-58-55-29-17-15-27-53(55)54-28-16-18-30-56(54)59(58)41-62(60)66)63-67-64(51-35-47(42-19-7-3-8-20-42)33-48(36-51)43-21-9-4-10-22-43)69-65(68-63)52-37-49(44-23-11-5-12-24-44)34-50(38-52)45-25-13-6-14-26-45;1-57(2)53-32-38(30-31-45(53)52-33-50-43-19-7-5-17-41(43)42-18-6-8-20-44(42)51(50)34-54(52)57)56-48-23-11-9-21-46(48)55(47-22-10-12-24-49(47)56)37-28-26-36(27-29-37)40-25-13-15-35-14-3-4-16-39(35)40;1-49(2)45-24-21-33(26-43(45)44-27-41-38-15-5-3-13-36(38)37-14-4-6-16-39(37)42(41)28-46(44)49)32-11-8-12-34(25-32)35-22-19-31-18-17-29-9-7-10-30-20-23-40(35)48(31)47(29)30;1-29-9-5-13-35(25-29)45(36-14-6-10-30(2)26-36)41-23-19-33-18-22-40-42(24-20-34-17-21-39(41)43(33)44(34)40)46(37-15-7-11-31(3)27-37)38-16-8-12-32(4)28-38;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;1-22-16-9(6-21)27-12-10-11(26-8(5-20)7(4-19)25-10)14-15(13(12)28-16)30-18(24-3)17(23-2)29-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-8-5-1-3-7-4-2-6-10-9(7)8;;/h3-41H,1-2H3;3-34H,1-2H3;3-28H,1-2H3;5-28H,1-4H3;1-32H;;1-6,8-9H;1-6,11H;;/q;;;;;;-1;;;+1
InChIKeyDVAJGTFFMIPZTO-UHFFFAOYSA-N
XLogP75.32
TPSA263.51 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms322
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004288.17
LogP ≤ 575.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze lithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile?
The IUPAC name of lithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile (CID 157432047) is lithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile.
What is the SMILES notation for lithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile?
The canonical SMILES for lithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile is CC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21.CC1(C)c2cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21.CC1(C)c2ccc(-c3cccc(-c4ccc5ccc6cccc7ccc4c5c67)c3)cc2-c2cc3c4ccccc4c4ccccc4c3cc21.Cc1cccc(N(c2cccc(C)c2)c2ccc3ccc4c(N(c5cccc(C)c5)c5cccc(C)c5)ccc5ccc2c3c54)c1.[C-]#[N+]c1nc2c(nc1C#N)c1nc(C#N)c(C#N)nc1c1nc([N+]#[C-])c([N+]#[C-])nc21.[Ir].[Li+].[O-]c1cccc2ccc[nH+]c12.[c-]1ccccc1-c1ccccn1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of lithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile?
The InChIKey is DVAJGTFFMIPZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3.C57H38.C49H32.C44H36N2.C44H32N2.C18N12.C11H8N.C9H7NO.Ir.Li/c1-66(2)61-39-46(31-32-57(61)60-40-58-55-29-17-15-27-53(55)54-28-16-18-30-56(54)59(58)41-62(60)66)63-67-64(51-35-47(42-19-7-3-8-20-42)33-48(36-51)43-21-9-4-10-22-43)69-65(68-63)52-37-49(44-23-11-5-12-24-44)34-50(38-52)45-25-13-6-14-26-45;1-57(2)53-32-38(30-31-45(53)52-33-50-43-19-7-5-17-41(43)42-18-6-8-20-44(42)51(50)34-54(52)57)56-48-23-11-9-21-46(48)55(47-22-10-12-24-49(47)56)37-28-26-36(27-29-37)40-25-13-15-35-14-3-4-16-39(35)40;1-49(2)45-24-21-33(26-43(45)44-27-41-38-15-5-3-13-36(38)37-14-4-6-16-39(37)42(41)28-46(44)49)32-11-8-12-34(25-32)35-22-19-31-18-17-29-9-7-10-30-20-23-40(35)48(31)47(29)30;1-29-9-5-13-35(25-29)45(36-14-6-10-30(2)26-36)41-23-19-33-18-22-40-42(24-20-34-17-21-39(41)43(33)44(34)40)46(37-15-7-11-31(3)27-37)38-16-8-12-32(4)28-38;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;1-22-16-9(6-21)27-12-10-11(26-8(5-20)7(4-19)25-10)14-15(13(12)28-16)30-18(24-3)17(23-2)29-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-8-5-1-3-7-4-2-6-10-9(7)8;;/h3-41H,1-2H3;3-34H,1-2H3;3-28H,1-2H3;5-28H,1-4H3;1-32H;;1-6,8-9H;1-6,11H;;/q;;;;;;-1;;;+1.
What are the key properties of lithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile?
lithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile has a molecular weight of 4288.17 g/mol, XLogP of 75.32, 26 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;23,23-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;23,23-dimethyl-19-(3-pyren-1-ylphenyl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-phenylpyridine;quinolin-1-ium-8-olate;1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile is sourced from PubChem (CID 157432047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).