14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C98H72N4OS6+4 — CID 157071825

IUPAC14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESCc1c(-c2cc3c(c[n+]2C)sc2c4ccccc4ccc32)sc2ccccc12.Cc1c(-c2cc3c(c[n+]2C)sc2cc4ccccc4cc23)oc2ccccc12.Cc1c(-c2cc3c(c[n+]2C)sc2cc4ccccc4cc23)sc2ccccc12.Cc1ccccc1-c1ccc2c3ccc4ccccc4c3sc2[n+]1C
InChIInChI=1S/C25H18NOS.2C25H18NS2.C23H18NS/c1-15-18-9-5-6-10-22(18)27-25(15)21-13-20-19-11-16-7-3-4-8-17(16)12-23(19)28-24(20)14-26(21)2;1-15-17-8-5-6-10-22(17)27-24(15)21-13-20-19-12-11-16-7-3-4-9-18(16)25(19)28-23(20)14-26(21)2;1-15-18-9-5-6-10-22(18)28-25(15)21-13-20-19-11-16-7-3-4-8-17(16)12-23(19)27-24(20)14-26(21)2;1-15-7-3-5-9-17(15)21-14-13-20-19-12-11-16-8-4-6-10-18(16)22(19)25-23(20)24(21)2/h3*3-14H,1-2H3;3-14H,1-2H3/q4*+1
InChIKeyKRRBCKJSSREGPF-UHFFFAOYSA-N
MW1514.08 g/mol
LogP27.21
Rot. Bonds4

About 14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 157071825) has the molecular formula C98H72N4OS6+4 and a molecular weight of 1514.08 g/mol. Its IUPAC name is 14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID157071825
Molecular FormulaC98H72N4OS6+4
Molecular Weight1514.08 g/mol
Exact Mass1512.40
IUPAC Name14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESCc1c(-c2cc3c(c[n+]2C)sc2c4ccccc4ccc32)sc2ccccc12.Cc1c(-c2cc3c(c[n+]2C)sc2cc4ccccc4cc23)oc2ccccc12.Cc1c(-c2cc3c(c[n+]2C)sc2cc4ccccc4cc23)sc2ccccc12.Cc1ccccc1-c1ccc2c3ccc4ccccc4c3sc2[n+]1C
InChIInChI=1S/C25H18NOS.2C25H18NS2.C23H18NS/c1-15-18-9-5-6-10-22(18)27-25(15)21-13-20-19-11-16-7-3-4-8-17(16)12-23(19)28-24(20)14-26(21)2;1-15-17-8-5-6-10-22(17)27-24(15)21-13-20-19-12-11-16-7-3-4-9-18(16)25(19)28-23(20)14-26(21)2;1-15-18-9-5-6-10-22(18)28-25(15)21-13-20-19-11-16-7-3-4-8-17(16)12-23(19)27-24(20)14-26(21)2;1-15-7-3-5-9-17(15)21-14-13-20-19-12-11-16-8-4-6-10-18(16)22(19)25-23(20)24(21)2/h3*3-14H,1-2H3;3-14H,1-2H3/q4*+1
InChIKeyKRRBCKJSSREGPF-UHFFFAOYSA-N
XLogP27.21
TPSA28.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001514.08
LogP ≤ 527.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene with MolForge

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Related Compounds

1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridine;tris(1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine);3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)
CID 157056649
1-(4-Tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-9,9-dimethyl-8-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridin-2-ium;1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridin-2-ium;bis(1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridin-2-ium);1-(4-tert-butyl-1-methanidylnaphthalen-2-yl)-2-methanidyl-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridin-2-ium;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one
CID 159675744
1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-8-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzofuro[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium);1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one
CID 160640731
1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-diethyl-7-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-9,9-dimethyl-7-(2-methylpropyl)-[1]benzosilolo[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-[1]benzothiolo[2,3-c]pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);2-hydroxy-6-methylhept-2-en-4-one;tetrakis(iridium)
CID 160725229
bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium);3-(7-methyl-3H-dibenzofuran-3-id-4-yl)-[1]benzofuro[2,3-c]pyridine;3-(7-methyl-3H-dibenzofuran-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-4,7-bis(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-7-(2,2,2-trifluoroethyl)-[1]benzothiolo[2,3-c]pyridine;bis(2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine)
CID 163831782
5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);pentakis(iridium);3-(7-methyl-3H-dibenzofuran-3-id-4-yl)-[1]benzofuro[2,3-c]pyridine;1-(1-methyl-2H-dibenzofuran-2-id-3-yl)-7-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;7-(2-methylpropyl)-1-(2,7,9-trimethyl-3H-dibenzofuran-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine;7-(2-methylpropyl)-1-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)-[1]benzothiolo[2,3-c]pyridine;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-1-(2,7,9-trimethyl-3H-dibenzofuran-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine
CID 163901679
2-(3-Fluoro-1-benzofuran-2-yl)-5-[7-[2-(3-fluoro-1-benzofuran-2-yl)-1,3-thiazol-5-yl]-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]-1,3-thiazole
CID 169699358
8-[3-[6-[6-[6-[3-(4,8,12-Triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-4-yl]dibenzothiophen-4-yl]dibenzofuran-4-yl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58059133
1-[10-([1]Benzothiolo[2,3-c]pyridin-1-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 88857597
1-[4-[10-[4-([1]Benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 88857602
6-[3-[3-([1]Benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 90250493
6-[3-[3-[3-[3-[3-([1]Benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridin-6-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 90265684

Frequently Asked Questions

What is the IUPAC name of 14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 157071825) is 14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for 14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is Cc1c(-c2cc3c(c[n+]2C)sc2c4ccccc4ccc32)sc2ccccc12.Cc1c(-c2cc3c(c[n+]2C)sc2cc4ccccc4cc23)oc2ccccc12.Cc1c(-c2cc3c(c[n+]2C)sc2cc4ccccc4cc23)sc2ccccc12.Cc1ccccc1-c1ccc2c3ccc4ccccc4c3sc2[n+]1C.
What is the InChIKey of 14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is KRRBCKJSSREGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18NOS.2C25H18NS2.C23H18NS/c1-15-18-9-5-6-10-22(18)27-25(15)21-13-20-19-11-16-7-3-4-8-17(16)12-23(19)28-24(20)14-26(21)2;1-15-17-8-5-6-10-22(17)27-24(15)21-13-20-19-12-11-16-7-3-4-9-18(16)25(19)28-23(20)14-26(21)2;1-15-18-9-5-6-10-22(18)28-25(15)21-13-20-19-11-16-7-3-4-8-17(16)12-23(19)27-24(20)14-26(21)2;1-15-7-3-5-9-17(15)21-14-13-20-19-12-11-16-8-4-6-10-18(16)22(19)25-23(20)24(21)2/h3*3-14H,1-2H3;3-14H,1-2H3/q4*+1.
What are the key properties of 14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 1514.08 g/mol, XLogP of 27.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;15-methyl-14-(2-methylphenyl)-17-thia-15-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 157071825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).