lithium;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;quinolin-1-ium-8-olate;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

C132H79LiN17O+ — CID 159178523

IUPAClithium;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;quinolin-1-ium-8-olate;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
SMILES[C-]#[N+]c1nc2c(nc1C#N)c1nc(C#N)c(C#N)nc1c1nc([N+]#[C-])c([N+]#[C-])nc21.[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1
InChIInChI=1S/C53H34N2.C52H38N2.C18N12.C9H7NO.Li/c1-2-14-38(15-3-1)53-54-49-20-10-11-21-50(49)55(53)44-29-26-37(27-30-44)41-28-31-47-48(34-41)52(43-25-23-36-13-5-7-17-40(36)33-43)46-19-9-8-18-45(46)51(47)42-24-22-35-12-4-6-16-39(35)32-42;1-4-13-39(14-5-1)41-23-31-47(32-24-41)53(48-33-25-42(26-34-48)40-15-6-2-7-16-40)49-35-27-43(28-36-49)44-29-37-50(38-30-44)54(46-19-8-3-9-20-46)52-22-12-18-45-17-10-11-21-51(45)52;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;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-34H;1-38H;;1-6,11H;/q;;;;+1
InChIKeyKMOWPXFSABLVNN-UHFFFAOYSA-N
MW1926.14 g/mol
LogP29.60
Rot. Bonds14

About lithium;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;quinolin-1-ium-8-olate;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;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;quinolin-1-ium-8-olate;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 159178523) has the molecular formula C132H79LiN17O+ and a molecular weight of 1926.14 g/mol. Its IUPAC name is lithium;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;quinolin-1-ium-8-olate;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;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;quinolin-1-ium-8-olate;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 CID159178523
Molecular FormulaC132H79LiN17O+
Molecular Weight1926.14 g/mol
Exact Mass1924.68
IUPAC Namelithium;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;quinolin-1-ium-8-olate;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
SMILES[C-]#[N+]c1nc2c(nc1C#N)c1nc(C#N)c(C#N)nc1c1nc([N+]#[C-])c([N+]#[C-])nc21.[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1
InChIInChI=1S/C53H34N2.C52H38N2.C18N12.C9H7NO.Li/c1-2-14-38(15-3-1)53-54-49-20-10-11-21-50(49)55(53)44-29-26-37(27-30-44)41-28-31-47-48(34-41)52(43-25-23-36-13-5-7-17-40(36)33-43)46-19-9-8-18-45(46)51(47)42-24-22-35-12-4-6-16-39(35)32-42;1-4-13-39(14-5-1)41-23-31-47(32-24-41)53(48-33-25-42(26-34-48)40-15-6-2-7-16-40)49-35-27-43(28-36-49)44-29-37-50(38-30-44)54(46-19-8-3-9-20-46)52-22-12-18-45-17-10-11-21-51(45)52;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;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-34H;1-38H;;1-6,11H;/q;;;;+1
InChIKeyKMOWPXFSABLVNN-UHFFFAOYSA-N
XLogP29.60
TPSA223.29 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001926.14
LogP ≤ 529.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze lithium;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;quinolin-1-ium-8-olate;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;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;quinolin-1-ium-8-olate;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;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;quinolin-1-ium-8-olate;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 159178523) is lithium;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;quinolin-1-ium-8-olate;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;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;quinolin-1-ium-8-olate;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;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;quinolin-1-ium-8-olate;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 [C-]#[N+]c1nc2c(nc1C#N)c1nc(C#N)c(C#N)nc1c1nc([N+]#[C-])c([N+]#[C-])nc21.[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1.
What is the InChIKey of lithium;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;quinolin-1-ium-8-olate;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 KMOWPXFSABLVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2.C52H38N2.C18N12.C9H7NO.Li/c1-2-14-38(15-3-1)53-54-49-20-10-11-21-50(49)55(53)44-29-26-37(27-30-44)41-28-31-47-48(34-41)52(43-25-23-36-13-5-7-17-40(36)33-43)46-19-9-8-18-45(46)51(47)42-24-22-35-12-4-6-16-39(35)32-42;1-4-13-39(14-5-1)41-23-31-47(32-24-41)53(48-33-25-42(26-34-48)40-15-6-2-7-16-40)49-35-27-43(28-36-49)44-29-37-50(38-30-44)54(46-19-8-3-9-20-46)52-22-12-18-45-17-10-11-21-51(45)52;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;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-34H;1-38H;;1-6,11H;/q;;;;+1.
What are the key properties of lithium;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;quinolin-1-ium-8-olate;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;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;quinolin-1-ium-8-olate;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 1926.14 g/mol, XLogP of 29.60, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;quinolin-1-ium-8-olate;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 159178523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).