lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;4-methyl-5-phenyl-2-phenylpyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylpyridine

C151H108IrLiN6OS- — CID 160908902

IUPAClithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;4-methyl-5-phenyl-2-phenylpyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylpyridine
SMILESCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[CH3-].[Ir].[Li+].[c-]1ccccc1-c1ccccn1.c1cc2c3c(c1)ccc[n+]3CO2.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5-c5ccccc5)cc4)cc3)cc2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1
InChIInChI=1S/C66H48N2.C45H27NS.C18H14N.C11H8N.C10H8NO.CH3.Ir.Li/c1-6-16-49(17-7-1)53-26-37-60(38-27-53)67(61-39-28-54(29-40-61)50-18-8-2-9-19-50)62-41-30-56(31-42-62)57-34-45-64(46-35-57)68(63-43-32-55(33-44-63)51-20-10-3-11-21-51)66-47-36-59(52-22-12-4-13-23-52)48-65(66)58-24-14-5-15-25-58;1-3-11-30-25-32(19-17-28(30)9-1)42-36-14-5-6-15-37(36)43(33-20-18-29-10-2-4-12-31(29)26-33)40-27-34(21-22-38(40)42)44-45-39(23-24-46-44)35-13-7-8-16-41(35)47-45;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;;;/h1-48H;1-27H;2-10,12-13H,1H3;1-6,8-9H;1-6H,7H2;1H3;;/q;;2*-1;+1;-1;;+1
InChIKeyAZWZESHYFQEDFF-UHFFFAOYSA-N
MW2253.79 g/mol
LogP37.69
Rot. Bonds18

About lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;4-methyl-5-phenyl-2-phenylpyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylpyridine

lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;4-methyl-5-phenyl-2-phenylpyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylpyridine (PubChem CID 160908902) has the molecular formula C151H108IrLiN6OS- and a molecular weight of 2253.79 g/mol. Its IUPAC name is lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;4-methyl-5-phenyl-2-phenylpyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylpyridine.

Molecular Properties

Compound Namelithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;4-methyl-5-phenyl-2-phenylpyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylpyridine
PubChem CID160908902
Molecular FormulaC151H108IrLiN6OS-
Molecular Weight2253.79 g/mol
Exact Mass2252.81
IUPAC Namelithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;4-methyl-5-phenyl-2-phenylpyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylpyridine
SMILESCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[CH3-].[Ir].[Li+].[c-]1ccccc1-c1ccccn1.c1cc2c3c(c1)ccc[n+]3CO2.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5-c5ccccc5)cc4)cc3)cc2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1
InChIInChI=1S/C66H48N2.C45H27NS.C18H14N.C11H8N.C10H8NO.CH3.Ir.Li/c1-6-16-49(17-7-1)53-26-37-60(38-27-53)67(61-39-28-54(29-40-61)50-18-8-2-9-19-50)62-41-30-56(31-42-62)57-34-45-64(46-35-57)68(63-43-32-55(33-44-63)51-20-10-3-11-21-51)66-47-36-59(52-22-12-4-13-23-52)48-65(66)58-24-14-5-15-25-58;1-3-11-30-25-32(19-17-28(30)9-1)42-36-14-5-6-15-37(36)43(33-20-18-29-10-2-4-12-31(29)26-33)40-27-34(21-22-38(40)42)44-45-39(23-24-46-44)35-13-7-8-16-41(35)47-45;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;;;/h1-48H;1-27H;2-10,12-13H,1H3;1-6,8-9H;1-6H,7H2;1H3;;/q;;2*-1;+1;-1;;+1
InChIKeyAZWZESHYFQEDFF-UHFFFAOYSA-N
XLogP37.69
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002253.79
LogP ≤ 537.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;4-methyl-5-phenyl-2-phenylpyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylpyridine with MolForge

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Related Compounds

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10-(3-Isoquinolin-1-yl-4-methylphenyl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine
CID 117802674
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CID 123387898
2-[7-(1-Methyl-8-propoxyquinolin-1-ium-5-yl)benzo[a]anthracen-4-yl]-1,3-benzothiazole
CID 123566524
5-[2-(1,3-Benzothiazol-2-yl)anthracen-9-yl]-2-propyl-3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
CID 123659902
3-[9-[4-[7-Carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine
CID 130354396
13'-[4-[6-[10'-(4-Quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,21'-14-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-5-yl]quinolin-8-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]
CID 134353571
4,20-bis(1-benzothiophen-3-yl)-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,20-bis(9-phenylcarbazol-3-yl)-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-4-yl]aniline;4,20-dipyridin-3-yl-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 157065891
3-(3-Dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;3-(4-dibenzothiophen-4-ylphenyl)-9-phenylcarbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;tri(quinolin-8-yloxy)alumane
CID 157191773
CID 157218193
CID 157218193
2,7-Di(dibenzothiophen-4-yl)-9-phenylcarbazole;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane
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5-Benzo[h]quinolin-10-yl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[c][1,5]naphthyridine;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[h][1,6]naphthyridine;10-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzo[c][1,5]naphthyridine
CID 157316977

Frequently Asked Questions

What is the IUPAC name of lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;4-methyl-5-phenyl-2-phenylpyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylpyridine?
The IUPAC name of lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;4-methyl-5-phenyl-2-phenylpyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylpyridine (CID 160908902) is lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;4-methyl-5-phenyl-2-phenylpyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylpyridine.
What is the SMILES notation for lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;4-methyl-5-phenyl-2-phenylpyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylpyridine?
The canonical SMILES for lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;4-methyl-5-phenyl-2-phenylpyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylpyridine is Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[CH3-].[Ir].[Li+].[c-]1ccccc1-c1ccccn1.c1cc2c3c(c1)ccc[n+]3CO2.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5-c5ccccc5)cc4)cc3)cc2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1.
What is the InChIKey of lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;4-methyl-5-phenyl-2-phenylpyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylpyridine?
The InChIKey is AZWZESHYFQEDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2.C45H27NS.C18H14N.C11H8N.C10H8NO.CH3.Ir.Li/c1-6-16-49(17-7-1)53-26-37-60(38-27-53)67(61-39-28-54(29-40-61)50-18-8-2-9-19-50)62-41-30-56(31-42-62)57-34-45-64(46-35-57)68(63-43-32-55(33-44-63)51-20-10-3-11-21-51)66-47-36-59(52-22-12-4-13-23-52)48-65(66)58-24-14-5-15-25-58;1-3-11-30-25-32(19-17-28(30)9-1)42-36-14-5-6-15-37(36)43(33-20-18-29-10-2-4-12-31(29)26-33)40-27-34(21-22-38(40)42)44-45-39(23-24-46-44)35-13-7-8-16-41(35)47-45;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;;;/h1-48H;1-27H;2-10,12-13H,1H3;1-6,8-9H;1-6H,7H2;1H3;;/q;;2*-1;+1;-1;;+1.
What are the key properties of lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;4-methyl-5-phenyl-2-phenylpyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylpyridine?
lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;4-methyl-5-phenyl-2-phenylpyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylpyridine has a molecular weight of 2253.79 g/mol, XLogP of 37.69, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;iridium;4-methyl-5-phenyl-2-phenylpyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylpyridine is sourced from PubChem (CID 160908902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).