lithium;1-N,6-N-bis[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-bis(3-fluorophenyl)pyrene-1,6-diamine;2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[cyano-[2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;quinolin-1-ium-8-olate

C247H150F14LiN14O+ — CID 162085952

About lithium;1-N,6-N-bis[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-bis(3-fluorophenyl)pyrene-1,6-diamine;2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[cyano-[2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;quinolin-1-ium-8-olate

lithium;1-N,6-N-bis[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-bis(3-fluorophenyl)pyrene-1,6-diamine;2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[cyano-[2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;quinolin-1-ium-8-olate (PubChem CID 162085952) has the molecular formula C247H150F14LiN14O+ and a molecular weight of 3628.08 g/mol. Its IUPAC name is lithium;1-N,6-N-bis[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-bis(3-fluorophenyl)pyrene-1,6-diamine;2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[cyano-[2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;quinolin-1-ium-8-olate.

Molecular Properties

• Compound Name: lithium;1-N,6-N-bis[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-bis(3-fluorophenyl)pyrene-1,6-diamine;2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[cyano-[2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;quinolin-1-ium-8-olate
• PubChem CID: 162085952
• Molecular Formula: C247H150F14LiN14O+
• Molecular Weight: 3628.08 g/mol
• Exact Mass: 3625.36
• IUPAC Name: lithium;1-N,6-N-bis[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-bis(3-fluorophenyl)pyrene-1,6-diamine;2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[cyano-[2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;quinolin-1-ium-8-olate
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)c(-c4ccccc4)c3)cc21.[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc(N(c3cccc(F)c3)c3ccc4ccc5c(N(c6cccc(F)c6)c6cc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c6)ccc6ccc3c4c65)c2)c([2H])c1[2H].[C-]#[N+]C(=C1C(=C(C#N)c2c(F)c(F)c(C#N)c(F)c2F)C1=C(C#N)c1c(F)c(F)c([N+]#[C-])c(F)c1F)c1c(F)c(F)c(C#N)c(F)c1F.[Li+].[O-]c1cccc2ccc[nH+]c12.c1cncc(-c2ccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc(-c5cccc6ccccc56)cc4)n3)cc2)c1
• InChI: InChI=1S/C64H42F2N2.C63H48N2.C47H31N3.C34H22.C30F12N6.C9H7NO.Li/c65-53-23-13-25-55(41-53)67(57-37-49(43-15-5-1-6-16-43)35-50(38-57)44-17-7-2-8-18-44)61-33-29-47-28-32-60-62(34-30-48-27-31-59(61)63(47)64(48)60)68(56-26-14-24-54(66)42-56)58-39-51(45-19-9-3-10-20-45)36-52(40-58)46-21-11-4-12-22-46;1-63(2)61-26-16-15-25-58(61)59-42-40-56(44-62(59)63)65(54-35-29-48(30-36-54)46-19-9-4-10-20-46)55-39-41-57(60(43-55)49-21-11-5-12-22-49)50-31-37-53(38-32-50)64(51-23-13-6-14-24-51)52-33-27-47(28-34-52)45-17-7-3-8-18-45;1-3-13-41-33(8-1)10-5-15-43(41)35-19-25-38(26-20-35)46-30-45(37-23-17-32(18-24-37)40-12-7-29-48-31-40)49-47(50-46)39-27-21-36(22-28-39)44-16-6-11-34-9-2-4-14-42(34)44;1-2-12-23(13-3-1)33-28-18-8-10-20-30(28)34(31-21-11-9-19-29(31)33)32-22-24-14-4-5-15-25(24)26-16-6-7-17-27(26)32;1-47-29(16-25(39)19(33)10(6-46)20(34)26(16)40)15-11(7(3-43)13-21(35)17(31)9(5-45)18(32)22(13)36)12(15)8(4-44)14-23(37)27(41)30(48-2)28(42)24(14)38;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-42H;3-44H,1-2H3;1-31H;1-22H;;1-6,11H;/q;;;;;;+1/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,15D,16D,17D,18D,19D,20D,21D,22D;;;1D,2D,3D,12D,13D
• InChIKey: ZCYOCVVMRMGKEI-VHKANCBESA-N
• XLogP: 63.86
• TPSA: 192.71 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 31
• Heavy Atoms: 277
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3628.08
LogP ≤ 5	63.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of lithium;1-N,6-N-bis[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-bis(3-fluorophenyl)pyrene-1,6-diamine;2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[cyano-[2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;quinolin-1-ium-8-olate?

The IUPAC name of lithium;1-N,6-N-bis[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-bis(3-fluorophenyl)pyrene-1,6-diamine;2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[cyano-[2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;quinolin-1-ium-8-olate (CID 162085952) is lithium;1-N,6-N-bis[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-bis(3-fluorophenyl)pyrene-1,6-diamine;2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[cyano-[2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;quinolin-1-ium-8-olate.

What is the SMILES notation for lithium;1-N,6-N-bis[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-bis(3-fluorophenyl)pyrene-1,6-diamine;2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[cyano-[2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;quinolin-1-ium-8-olate?

The canonical SMILES for lithium;1-N,6-N-bis[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-bis(3-fluorophenyl)pyrene-1,6-diamine;2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[cyano-[2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;quinolin-1-ium-8-olate is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)c(-c4ccccc4)c3)cc21.[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc(N(c3cccc(F)c3)c3ccc4ccc5c(N(c6cccc(F)c6)c6cc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c6)ccc6ccc3c4c65)c2)c([2H])c1[2H].[C-]#[N+]C(=C1C(=C(C#N)c2c(F)c(F)c(C#N)c(F)c2F)C1=C(C#N)c1c(F)c(F)c([N+]#[C-])c(F)c1F)c1c(F)c(F)c(C#N)c(F)c1F.[Li+].[O-]c1cccc2ccc[nH+]c12.c1cncc(-c2ccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc(-c5cccc6ccccc56)cc4)n3)cc2)c1.

What is the InChIKey of lithium;1-N,6-N-bis[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-bis(3-fluorophenyl)pyrene-1,6-diamine;2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[cyano-[2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;quinolin-1-ium-8-olate?

The InChIKey is ZCYOCVVMRMGKEI-VHKANCBESA-N. The full InChI is InChI=1S/C64H42F2N2.C63H48N2.C47H31N3.C34H22.C30F12N6.C9H7NO.Li/c65-53-23-13-25-55(41-53)67(57-37-49(43-15-5-1-6-16-43)35-50(38-57)44-17-7-2-8-18-44)61-33-29-47-28-32-60-62(34-30-48-27-31-59(61)63(47)64(48)60)68(56-26-14-24-54(66)42-56)58-39-51(45-19-9-3-10-20-45)36-52(40-58)46-21-11-4-12-22-46;1-63(2)61-26-16-15-25-58(61)59-42-40-56(44-62(59)63)65(54-35-29-48(30-36-54)46-19-9-4-10-20-46)55-39-41-57(60(43-55)49-21-11-5-12-22-49)50-31-37-53(38-32-50)64(51-23-13-6-14-24-51)52-33-27-47(28-34-52)45-17-7-3-8-18-45;1-3-13-41-33(8-1)10-5-15-43(41)35-19-25-38(26-20-35)46-30-45(37-23-17-32(18-24-37)40-12-7-29-48-31-40)49-47(50-46)39-27-21-36(22-28-39)44-16-6-11-34-9-2-4-14-42(34)44;1-2-12-23(13-3-1)33-28-18-8-10-20-30(28)34(31-21-11-9-19-29(31)33)32-22-24-14-4-5-15-25(24)26-16-6-7-17-27(26)32;1-47-29(16-25(39)19(33)10(6-46)20(34)26(16)40)15-11(7(3-43)13-21(35)17(31)9(5-45)18(32)22(13)36)12(15)8(4-44)14-23(37)27(41)30(48-2)28(42)24(14)38;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-42H;3-44H,1-2H3;1-31H;1-22H;;1-6,11H;/q;;;;;;+1/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,15D,16D,17D,18D,19D,20D,21D,22D;;;1D,2D,3D,12D,13D;;;.

What are the key properties of lithium;1-N,6-N-bis[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-bis(3-fluorophenyl)pyrene-1,6-diamine;2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[cyano-[2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;quinolin-1-ium-8-olate?

lithium;1-N,6-N-bis[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-bis(3-fluorophenyl)pyrene-1,6-diamine;2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[cyano-[2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;quinolin-1-ium-8-olate has a molecular weight of 3628.08 g/mol, XLogP of 63.86, 31 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;1-N,6-N-bis[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,6-N-bis(3-fluorophenyl)pyrene-1,6-diamine;2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[cyano-[2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]-3-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;quinolin-1-ium-8-olate is sourced from PubChem (CID 162085952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).