lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;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;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene

C198H135LiN7OS3+ — CID 158379243

IUPAClithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;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;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene
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.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c3)n2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1
InChIInChI=1S/C61H46N2.C45H27NS.C42H26S.C39H25N3S.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;1-2-11-27(12-3-1)31-19-9-21-38-39-22-10-20-32(42(39)43-41(31)38)30-14-8-13-28(25-30)29-23-24-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)26-29;1-4-13-26(14-5-1)31-21-11-23-33-34-24-12-22-32(36(34)43-35(31)33)29-19-10-20-30(25-29)39-41-37(27-15-6-2-7-16-27)40-38(42-39)28-17-8-3-9-18-28;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;;/h2-44H,1H3;1-27H;1-26H;1-25H;1-6H,7H2;1H3;/q;;;;+1;-1;+1
InChIKeyZYZZYDJVYDEAFR-UHFFFAOYSA-N
MW2731.45 g/mol
LogP52.35
Rot. Bonds22

About lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;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;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene

lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;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;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene (PubChem CID 158379243) has the molecular formula C198H135LiN7OS3+ and a molecular weight of 2731.45 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-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;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;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene.

Molecular Properties

Compound Namelithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;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;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene
PubChem CID158379243
Molecular FormulaC198H135LiN7OS3+
Molecular Weight2731.45 g/mol
Exact Mass2729.00
IUPAC Namelithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;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;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene
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.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c3)n2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1
InChIInChI=1S/C61H46N2.C45H27NS.C42H26S.C39H25N3S.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;1-2-11-27(12-3-1)31-19-9-21-38-39-22-10-20-32(42(39)43-41(31)38)30-14-8-13-28(25-30)29-23-24-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)26-29;1-4-13-26(14-5-1)31-21-11-23-33-34-24-12-22-32(36(34)43-35(31)33)29-19-10-20-30(25-29)39-41-37(27-15-6-2-7-16-27)40-38(42-39)28-17-8-3-9-18-28;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;;/h2-44H,1H3;1-27H;1-26H;1-25H;1-6H,7H2;1H3;/q;;;;+1;-1;+1
InChIKeyZYZZYDJVYDEAFR-UHFFFAOYSA-N
XLogP52.35
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms210
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002731.45
LogP ≤ 552.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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'}, {'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-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;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;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene with MolForge

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Related Compounds

4-(3-Tert-butyl-5-methylbenzene-6-id-1-yl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;bis(iridium);3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
CID 159233482
4-(3-Thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 134602061
10-[2,6-Bis(1-dibenzothiophen-1-ylpyrrolo[2,3-b]pyridin-2-yl)-4-pyridinyl]phenoxazine
CID 137434111
10-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 142427323
Ethane;19-[9-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]carbazol-3-yl]-8-oxa-15-thia-6-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene
CID 145354098
4-([1]Benzothiolo[2,3-a]carbazol-12-yl)-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 146414072
5-[8-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-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
CID 149143701
5-[8-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-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
CID 153127362
5-[6-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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
CID 153169460
CID 154600563
CID 154600563
5-[6-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-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
CID 154601943
5-[8-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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
CID 154602049

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-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;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;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene?
The IUPAC name of lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;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;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene (CID 158379243) is lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;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;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene.
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-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;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;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene?
The canonical SMILES for lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;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;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene 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.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c3)n2)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-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;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;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene?
The InChIKey is ZYZZYDJVYDEAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H46N2.C45H27NS.C42H26S.C39H25N3S.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;1-2-11-27(12-3-1)31-19-9-21-38-39-22-10-20-32(42(39)43-41(31)38)30-14-8-13-28(25-30)29-23-24-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)26-29;1-4-13-26(14-5-1)31-21-11-23-33-34-24-12-22-32(36(34)43-35(31)33)29-19-10-20-30(25-29)39-41-37(27-15-6-2-7-16-27)40-38(42-39)28-17-8-3-9-18-28;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;;/h2-44H,1H3;1-27H;1-26H;1-25H;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;2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;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;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene?
lithium;carbanide;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;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;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene has a molecular weight of 2731.45 g/mol, XLogP of 52.35, 22 rotatable bonds, 0 hydrogen bond donors, and 10 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-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;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;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene is sourced from PubChem (CID 158379243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).