lithium;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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

C150H86LiN22O+ — CID 157075258

IUPAClithium;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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.c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C54H35N3.C40H25N3.C29H19N3.C18N12.C9H7NO.Li/c1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)45-32-36(24-28-51(45)55)38-26-30-53-47(34-38)48-35-39(27-31-54(48)57(53)42-18-8-3-9-19-42)37-25-29-52-46(33-37)44-21-11-13-23-50(44)56(52)41-16-6-2-7-17-41;1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-36-32(25-28)31-19-9-12-22-35(31)40(36)33-20-10-7-17-29(33)30-18-8-11-21-34(30)40;1-5-14-24-20(10-1)21-11-2-6-15-25(21)31(24)28-18-9-19-29(30-28)32-26-16-7-3-12-22(26)23-13-4-8-17-27(23)32;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;/h1-35H;1-25H;1-19H;;1-6,11H;/q;;;;;+1
InChIKeyACWZUCNBKYJUEM-UHFFFAOYSA-N
MW2219.43 g/mol
LogP31.32
Rot. Bonds10

About lithium;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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 157075258) has the molecular formula C150H86LiN22O+ and a molecular weight of 2219.43 g/mol. Its IUPAC name is lithium;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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 CID157075258
Molecular FormulaC150H86LiN22O+
Molecular Weight2219.43 g/mol
Exact Mass2217.75
IUPAC Namelithium;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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.c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C54H35N3.C40H25N3.C29H19N3.C18N12.C9H7NO.Li/c1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)45-32-36(24-28-51(45)55)38-26-30-53-47(34-38)48-35-39(27-31-54(48)57(53)42-18-8-3-9-19-42)37-25-29-52-46(33-37)44-21-11-13-23-50(44)56(52)41-16-6-2-7-17-41;1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-36-32(25-28)31-19-9-12-22-35(31)40(36)33-20-10-7-17-29(33)30-18-8-11-21-34(30)40;1-5-14-24-20(10-1)21-11-2-6-15-25(21)31(24)28-18-9-19-29(30-28)32-26-16-7-3-12-22(26)23-13-4-8-17-27(23)32;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;/h1-35H;1-25H;1-19H;;1-6,11H;/q;;;;;+1
InChIKeyACWZUCNBKYJUEM-UHFFFAOYSA-N
XLogP31.32
TPSA275.20 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002219.43
LogP ≤ 531.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze lithium;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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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Related Compounds

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Lithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate
CID 140600520
Lithium 5-[11,11,12,12-tetramethyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]fluoren-2-yl]quinolin-1-ium-8-olate
CID 140600529
Lithium 5-[6,6,12,12-tetramethyl-2-(1-phenylbenzimidazol-2-yl)indeno[1,2-b]fluoren-8-yl]quinolin-1-ium-8-olate
CID 140600548
Lithium 7-[6,6,12,12-tetramethyl-2-(1-phenylbenzimidazol-2-yl)indeno[1,2-b]fluoren-8-yl]quinolin-1-ium-8-olate
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dilithium;carbanide;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;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-diphenyl-1,3,5-triazine;7,7-dimethyl-5-phenyl-10-pyridin-2-yl-9H-indeno[2,1-b]carbazol-9-ide;iridium;2-phenylpyridine;quinolin-1-ium-8-olate
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Frequently Asked Questions

What is the IUPAC name of lithium;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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 157075258) is lithium;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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.c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of lithium;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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 ACWZUCNBKYJUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3.C40H25N3.C29H19N3.C18N12.C9H7NO.Li/c1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)45-32-36(24-28-51(45)55)38-26-30-53-47(34-38)48-35-39(27-31-54(48)57(53)42-18-8-3-9-19-42)37-25-29-52-46(33-37)44-21-11-13-23-50(44)56(52)41-16-6-2-7-17-41;1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-36-32(25-28)31-19-9-12-22-35(31)40(36)33-20-10-7-17-29(33)30-18-8-11-21-34(30)40;1-5-14-24-20(10-1)21-11-2-6-15-25(21)31(24)28-18-9-19-29(30-28)32-26-16-7-3-12-22(26)23-13-4-8-17-27(23)32;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;/h1-35H;1-25H;1-19H;;1-6,11H;/q;;;;;+1.
What are the key properties of lithium;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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 2219.43 g/mol, XLogP of 31.32, 10 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;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 157075258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).