11-(3,5-diphenylphenyl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-[4-(5-phenylthiophen-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide

C135H98N14O10S6 — CID 157244705

About 11-(3,5-diphenylphenyl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-[4-(5-phenylthiophen-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide

11-(3,5-diphenylphenyl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-[4-(5-phenylthiophen-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide (PubChem CID 157244705) has the molecular formula C135H98N14O10S6 and a molecular weight of 2268.76 g/mol. Its IUPAC name is 11-(3,5-diphenylphenyl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-[4-(5-phenylthiophen-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide.

Molecular Properties

• Compound Name: 11-(3,5-diphenylphenyl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-[4-(5-phenylthiophen-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
• PubChem CID: 157244705
• Molecular Formula: C135H98N14O10S6
• Molecular Weight: 2268.76 g/mol
• Exact Mass: 2266.59
• IUPAC Name: 11-(3,5-diphenylphenyl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-[4-(5-phenylthiophen-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
• SMILES: CCc1nc2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc3c2n1-c1ccccc1S3(=O)=O.CCc1nc2cc(-c3ccc(-c4ccc(-c5ccccc5)s4)cc3)cc3c2n1-c1ccccc1S3(=O)=O.CCc1nc2cc(-c3ccccc3)cc3c2n1-c1ccccc1S3(=O)=O.CCc1nc2cc(-c3ccncc3)cc3c2n1-c1ccccc1S3(=O)=O.CCc1nc2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c2n1-c1ccccc1S3(=O)=O
• InChI: InChI=1S/C33H24N2O2S.C31H22N2O2S2.C30H21N5O2S.C21H16N2O2S.C20H15N3O2S/c1-2-32-34-28-20-27(21-31-33(28)35(32)29-15-9-10-16-30(29)38(31,36)37)26-18-24(22-11-5-3-6-12-22)17-25(19-26)23-13-7-4-8-14-23;1-2-30-32-24-18-23(19-29-31(24)33(30)25-10-6-7-11-28(25)37(29,34)35)20-12-14-22(15-13-20)27-17-16-26(36-27)21-8-4-3-5-9-21;1-2-26-31-22-17-21(18-25-27(22)35(26)23-15-9-10-16-24(23)38(25,36)37)30-33-28(19-11-5-3-6-12-19)32-29(34-30)20-13-7-4-8-14-20;1-2-20-22-16-12-15(14-8-4-3-5-9-14)13-19-21(16)23(20)17-10-6-7-11-18(17)26(19,24)25;1-2-19-22-15-11-14(13-7-9-21-10-8-13)12-18-20(15)23(19)16-5-3-4-6-17(16)26(18,24)25/h3-21H,2H2,1H3;3-19H,2H2,1H3;3-18H,2H2,1H3;3-13H,2H2,1H3;3-12H,2H2,1H3
• InChIKey: AVPSUAIIKPPHMJ-UHFFFAOYSA-N
• XLogP: 29.65
• TPSA: 311.36 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2268.76
LogP ≤ 5	29.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 11-(3,5-diphenylphenyl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-[4-(5-phenylthiophen-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide?

The IUPAC name of 11-(3,5-diphenylphenyl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-[4-(5-phenylthiophen-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide (CID 157244705) is 11-(3,5-diphenylphenyl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-[4-(5-phenylthiophen-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide.

What is the SMILES notation for 11-(3,5-diphenylphenyl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-[4-(5-phenylthiophen-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide?

The canonical SMILES for 11-(3,5-diphenylphenyl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-[4-(5-phenylthiophen-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide is CCc1nc2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc3c2n1-c1ccccc1S3(=O)=O.CCc1nc2cc(-c3ccc(-c4ccc(-c5ccccc5)s4)cc3)cc3c2n1-c1ccccc1S3(=O)=O.CCc1nc2cc(-c3ccccc3)cc3c2n1-c1ccccc1S3(=O)=O.CCc1nc2cc(-c3ccncc3)cc3c2n1-c1ccccc1S3(=O)=O.CCc1nc2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c2n1-c1ccccc1S3(=O)=O.

What is the InChIKey of 11-(3,5-diphenylphenyl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-[4-(5-phenylthiophen-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide?

The InChIKey is AVPSUAIIKPPHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O2S.C31H22N2O2S2.C30H21N5O2S.C21H16N2O2S.C20H15N3O2S/c1-2-32-34-28-20-27(21-31-33(28)35(32)29-15-9-10-16-30(29)38(31,36)37)26-18-24(22-11-5-3-6-12-22)17-25(19-26)23-13-7-4-8-14-23;1-2-30-32-24-18-23(19-29-31(24)33(30)25-10-6-7-11-28(25)37(29,34)35)20-12-14-22(15-13-20)27-17-16-26(36-27)21-8-4-3-5-9-21;1-2-26-31-22-17-21(18-25-27(22)35(26)23-15-9-10-16-24(23)38(25,36)37)30-33-28(19-11-5-3-6-12-19)32-29(34-30)20-13-7-4-8-14-20;1-2-20-22-16-12-15(14-8-4-3-5-9-14)13-19-21(16)23(20)17-10-6-7-11-18(17)26(19,24)25;1-2-19-22-15-11-14(13-7-9-21-10-8-13)12-18-20(15)23(19)16-5-3-4-6-17(16)26(18,24)25/h3-21H,2H2,1H3;3-19H,2H2,1H3;3-18H,2H2,1H3;3-13H,2H2,1H3;3-12H,2H2,1H3.

What are the key properties of 11-(3,5-diphenylphenyl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-[4-(5-phenylthiophen-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide?

11-(3,5-diphenylphenyl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-[4-(5-phenylthiophen-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide has a molecular weight of 2268.76 g/mol, XLogP of 29.65, 16 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(3,5-diphenylphenyl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-[4-(5-phenylthiophen-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide is sourced from PubChem (CID 157244705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).