15-(4-carbazol-9-ylphenyl)-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-(3,5-diphenylphenyl)-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-(4,6-diphenyl-1,3,5-triazin-2-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;15-[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

C119H74N12O8S5 — CID 157131661

About 15-(4-carbazol-9-ylphenyl)-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-(3,5-diphenylphenyl)-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-(4,6-diphenyl-1,3,5-triazin-2-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;15-[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-(4-carbazol-9-ylphenyl)-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-(3,5-diphenylphenyl)-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-(4,6-diphenyl-1,3,5-triazin-2-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;15-[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 (PubChem CID 157131661) has the molecular formula C119H74N12O8S5 and a molecular weight of 1960.31 g/mol. Its IUPAC name is 15-(4-carbazol-9-ylphenyl)-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-(3,5-diphenylphenyl)-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-(4,6-diphenyl-1,3,5-triazin-2-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;15-[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.

Molecular Properties

• Compound Name: 15-(4-carbazol-9-ylphenyl)-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-(3,5-diphenylphenyl)-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-(4,6-diphenyl-1,3,5-triazin-2-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;15-[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
• PubChem CID: 157131661
• Molecular Formula: C119H74N12O8S5
• Molecular Weight: 1960.31 g/mol
• Exact Mass: 1958.44
• IUPAC Name: 15-(4-carbazol-9-ylphenyl)-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-(3,5-diphenylphenyl)-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-(4,6-diphenyl-1,3,5-triazin-2-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;15-[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
• SMILES: O=S1(=O)c2ccccc2-n2c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc3cccc1c32.O=S1(=O)c2ccccc2-n2c(-c3ccc(-c4ccc(-c5ccccc5)s4)cc3)nc3cccc1c32.O=S1(=O)c2ccccc2-n2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc3cccc1c32.O=S1(=O)c2ccccc2-n2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)nc3cccc1c32
• InChI: InChI=1S/C31H19N3O2S.C31H20N2O2S.C29H18N2O2S2.C28H17N5O2S/c35-37(36)28-14-6-5-13-27(28)34-30-24(10-7-15-29(30)37)32-31(34)20-16-18-21(19-17-20)33-25-11-3-1-8-22(25)23-9-2-4-12-26(23)33;34-36(35)28-16-8-7-15-27(28)33-30-26(14-9-17-29(30)36)32-31(33)25-19-23(21-10-3-1-4-11-21)18-24(20-25)22-12-5-2-6-13-22;32-35(33)26-11-5-4-10-23(26)31-28-22(9-6-12-27(28)35)30-29(31)21-15-13-20(14-16-21)25-18-17-24(34-25)19-7-2-1-3-8-19;34-36(35)22-16-8-7-15-21(22)33-24-20(14-9-17-23(24)36)29-28(33)27-31-25(18-10-3-1-4-11-18)30-26(32-27)19-12-5-2-6-13-19/h1-19H;1-20H;1-18H;1-17H
• InChIKey: AJDLWXOFOZWVFB-UHFFFAOYSA-N
• XLogP: 26.70
• TPSA: 251.44 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1960.31
LogP ≤ 5	26.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 15-(4-carbazol-9-ylphenyl)-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-(3,5-diphenylphenyl)-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-(4,6-diphenyl-1,3,5-triazin-2-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;15-[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?

The IUPAC name of 15-(4-carbazol-9-ylphenyl)-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-(3,5-diphenylphenyl)-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-(4,6-diphenyl-1,3,5-triazin-2-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;15-[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 (CID 157131661) is 15-(4-carbazol-9-ylphenyl)-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-(3,5-diphenylphenyl)-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-(4,6-diphenyl-1,3,5-triazin-2-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;15-[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.

What is the SMILES notation for 15-(4-carbazol-9-ylphenyl)-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-(3,5-diphenylphenyl)-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-(4,6-diphenyl-1,3,5-triazin-2-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;15-[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?

The canonical SMILES for 15-(4-carbazol-9-ylphenyl)-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-(3,5-diphenylphenyl)-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-(4,6-diphenyl-1,3,5-triazin-2-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;15-[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 is O=S1(=O)c2ccccc2-n2c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc3cccc1c32.O=S1(=O)c2ccccc2-n2c(-c3ccc(-c4ccc(-c5ccccc5)s4)cc3)nc3cccc1c32.O=S1(=O)c2ccccc2-n2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc3cccc1c32.O=S1(=O)c2ccccc2-n2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)nc3cccc1c32.

What is the InChIKey of 15-(4-carbazol-9-ylphenyl)-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-(3,5-diphenylphenyl)-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-(4,6-diphenyl-1,3,5-triazin-2-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;15-[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?

The InChIKey is AJDLWXOFOZWVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3O2S.C31H20N2O2S.C29H18N2O2S2.C28H17N5O2S/c35-37(36)28-14-6-5-13-27(28)34-30-24(10-7-15-29(30)37)32-31(34)20-16-18-21(19-17-20)33-25-11-3-1-8-22(25)23-9-2-4-12-26(23)33;34-36(35)28-16-8-7-15-27(28)33-30-26(14-9-17-29(30)36)32-31(33)25-19-23(21-10-3-1-4-11-21)18-24(20-25)22-12-5-2-6-13-22;32-35(33)26-11-5-4-10-23(26)31-28-22(9-6-12-27(28)35)30-29(31)21-15-13-20(14-16-21)25-18-17-24(34-25)19-7-2-1-3-8-19;34-36(35)22-16-8-7-15-21(22)33-24-20(14-9-17-23(24)36)29-28(33)27-31-25(18-10-3-1-4-11-18)30-26(32-27)19-12-5-2-6-13-19/h1-19H;1-20H;1-18H;1-17H.

What are the key properties of 15-(4-carbazol-9-ylphenyl)-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-(3,5-diphenylphenyl)-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-(4,6-diphenyl-1,3,5-triazin-2-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;15-[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-(4-carbazol-9-ylphenyl)-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-(3,5-diphenylphenyl)-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-(4,6-diphenyl-1,3,5-triazin-2-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;15-[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 has a molecular weight of 1960.31 g/mol, XLogP of 26.70, 11 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(4-carbazol-9-ylphenyl)-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-(3,5-diphenylphenyl)-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-(4,6-diphenyl-1,3,5-triazin-2-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;15-[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 is sourced from PubChem (CID 157131661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).