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

C117H84LiN4OS+ — CID 158369677

IUPAClithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1.[CH3-].[Li+].c1cc2c3c(c1)ccc[n+]3CO2.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1
InChIInChI=1S/C61H46N2.C45H27NS.C10H8NO.CH3.Li/c1-45-22-33-55(34-23-45)62(56-35-24-49(25-36-56)46-14-6-2-7-15-46)57-37-26-51(27-38-57)52-30-41-59(42-31-52)63(58-39-28-50(29-40-58)47-16-8-3-9-17-47)61-43-32-54(48-18-10-4-11-19-48)44-60(61)53-20-12-5-13-21-53;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;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;;/h2-44H,1H3;1-27H;1-6H,7H2;1H3;/q;;+1;-1;+1
InChIKeySGYSYBSUPUNVOK-UHFFFAOYSA-N
MW1600.99 g/mol
LogP29.26
Rot. Bonds14

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

lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene (PubChem CID 158369677) has the molecular formula C117H84LiN4OS+ and a molecular weight of 1600.99 g/mol. Its IUPAC name is lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene.

Molecular Properties

Compound Namelithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
PubChem CID158369677
Molecular FormulaC117H84LiN4OS+
Molecular Weight1600.99 g/mol
Exact Mass1599.65
IUPAC Namelithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1.[CH3-].[Li+].c1cc2c3c(c1)ccc[n+]3CO2.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1
InChIInChI=1S/C61H46N2.C45H27NS.C10H8NO.CH3.Li/c1-45-22-33-55(34-23-45)62(56-35-24-49(25-36-56)46-14-6-2-7-15-46)57-37-26-51(27-38-57)52-30-41-59(42-31-52)63(58-39-28-50(29-40-58)47-16-8-3-9-17-47)61-43-32-54(48-18-10-4-11-19-48)44-60(61)53-20-12-5-13-21-53;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;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;;/h2-44H,1H3;1-27H;1-6H,7H2;1H3;/q;;+1;-1;+1
InChIKeySGYSYBSUPUNVOK-UHFFFAOYSA-N
XLogP29.26
TPSA32.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001600.99
LogP ≤ 529.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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;N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene with MolForge

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Related Compounds

2-(8-Methoxy-5-methylphenanthridin-5-ium-2-yl)-1,3-benzothiazole chloride
CID 164618723
10-Fluoro-4-methoxy-5-methyl[1]benzothieno[2,3-c]quinolin-5-ium
CID 1779948
11-Fluoro-4-methoxy-5-methyl[1]benzothieno[2,3-c]quinolin-5-ium
CID 3318667
9-Fluoro-4-methoxy-5-methyl[1]benzothieno[2,3-c]quinolin-5-ium
CID 4097776
2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
CID 157618272
1-(1,1-difluoroethyl)-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylaniline;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-yl-1H-indole;2-propan-2-yl-1-benzothiophene;2-propan-2-ylnaphthalene;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline
CID 157704109
8-Methoxy-5-[5-[4-[5-(8-methoxyquinolin-5-yl)thiophen-2-yl]phenyl]thiophen-2-yl]quinoline
CID 16081247
2-(8-Methoxy-5-methylphenanthridin-5-ium-2-yl)-1,3-benzothiazole
CID 164618724
(2E)-2-[(2Z,4E)-5-[6,7-dimethyl-1-(2-naphthalen-1-yloxyethyl)quinolin-1-ium-4-yl]-3-methylpenta-2,4-dienylidene]-3-(2-naphthalen-1-yloxyethyl)benzo[g][1,3]benzothiazole
CID 22892657
2-[5-[6,7-Dimethyl-1-(2-naphthalen-1-yloxyethyl)quinolin-1-ium-4-yl]-3-methylpenta-2,4-dienylidene]-3-(2-naphthalen-1-yloxyethyl)benzo[g][1,3]benzothiazole
CID 54181028
7-Methoxy-1-[(1-methylpiperidin-3-yl)methyl]-3-(5-thiophen-3-yl-2-pyridinyl)indole
CID 54495639
CID 57641905
CID 57641905

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;N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene?
The IUPAC name of lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene (CID 158369677) is lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene.
What is the SMILES notation for lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene?
The canonical SMILES for lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene is Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1.[CH3-].[Li+].c1cc2c3c(c1)ccc[n+]3CO2.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;N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene?
The InChIKey is SGYSYBSUPUNVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H46N2.C45H27NS.C10H8NO.CH3.Li/c1-45-22-33-55(34-23-45)62(56-35-24-49(25-36-56)46-14-6-2-7-15-46)57-37-26-51(27-38-57)52-30-41-59(42-31-52)63(58-39-28-50(29-40-58)47-16-8-3-9-17-47)61-43-32-54(48-18-10-4-11-19-48)44-60(61)53-20-12-5-13-21-53;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;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;;/h2-44H,1H3;1-27H;1-6H,7H2;1H3;/q;;+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;N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene?
lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene has a molecular weight of 1600.99 g/mol, XLogP of 29.26, 14 rotatable bonds, 0 hydrogen bond donors, and 5 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;N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene is sourced from PubChem (CID 158369677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).