1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;2-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione;2-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione

C122H104N8O8S4Te2 — CID 164998298

About 1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;2-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione;2-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione

1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;2-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione;2-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione (PubChem CID 164998298) has the molecular formula C122H104N8O8S4Te2 and a molecular weight of 2193.69 g/mol. Its IUPAC name is 1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;2-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione;2-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione.

Molecular Properties

• Compound Name: 1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;2-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione;2-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione
• PubChem CID: 164998298
• Molecular Formula: C122H104N8O8S4Te2
• Molecular Weight: 2193.69 g/mol
• Exact Mass: 2196.50
• IUPAC Name: 1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;2-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione;2-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione
• SMILES: CC1(C)c2ccccc2N2c3[te]c(C=C4C(=O)c5ccccc5C4=O)cc3C(C)(C)c3cccc1c32.CC1(C)c2ccccc2N2c3sc(C=C4C(=O)c5ccccc5C4=O)cc3C(C)(C)c3cccc1c32.CN1C(=O)C(=Cc2cc3c([te]2)N2c4ccccc4C(C)(C)c4cccc(c42)C3(C)C)C(=O)N(C)C1=S.CN1C(=O)C(=Cc2cc3c(s2)N2c4ccccc4C(C)(C)c4cccc(c42)C3(C)C)C(=O)N(C)C1=S
• InChI: InChI=1S/C32H25NO2S.C32H25NO2Te.C29H27N3O2S2.C29H27N3O2STe/c2*1-31(2)22-12-7-8-15-26(22)33-27-23(31)13-9-14-24(27)32(3,4)25-17-18(36-30(25)33)16-21-28(34)19-10-5-6-11-20(19)29(21)35;2*1-28(2)18-10-7-8-13-22(18)32-23-19(28)11-9-12-20(23)29(3,4)21-15-16(36-26(21)32)14-17-24(33)30(5)27(35)31(6)25(17)34/h2*5-17H,1-4H3;2*7-15H,1-6H3
• InChIKey: HWFXTXSHOBYJHG-UHFFFAOYSA-N
• XLogP: 26.10
• TPSA: 162.48 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2193.69
LogP ≤ 5	26.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;2-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione;2-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione?

The IUPAC name of 1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;2-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione;2-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione (CID 164998298) is 1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;2-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione;2-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione.

What is the SMILES notation for 1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;2-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione;2-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione?

The canonical SMILES for 1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;2-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione;2-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione is CC1(C)c2ccccc2N2c3[te]c(C=C4C(=O)c5ccccc5C4=O)cc3C(C)(C)c3cccc1c32.CC1(C)c2ccccc2N2c3sc(C=C4C(=O)c5ccccc5C4=O)cc3C(C)(C)c3cccc1c32.CN1C(=O)C(=Cc2cc3c([te]2)N2c4ccccc4C(C)(C)c4cccc(c42)C3(C)C)C(=O)N(C)C1=S.CN1C(=O)C(=Cc2cc3c(s2)N2c4ccccc4C(C)(C)c4cccc(c42)C3(C)C)C(=O)N(C)C1=S.

What is the InChIKey of 1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;2-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione;2-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione?

The InChIKey is HWFXTXSHOBYJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NO2S.C32H25NO2Te.C29H27N3O2S2.C29H27N3O2STe/c2*1-31(2)22-12-7-8-15-26(22)33-27-23(31)13-9-14-24(27)32(3,4)25-17-18(36-30(25)33)16-21-28(34)19-10-5-6-11-20(19)29(21)35;2*1-28(2)18-10-7-8-13-22(18)32-23-19(28)11-9-12-20(23)29(3,4)21-15-16(36-26(21)32)14-17-24(33)30(5)27(35)31(6)25(17)34/h2*5-17H,1-4H3;2*7-15H,1-6H3.

What are the key properties of 1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;2-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione;2-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione?

1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;2-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione;2-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione has a molecular weight of 2193.69 g/mol, XLogP of 26.10, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-5-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione;2-[(7,7,13,13-tetramethyl-3-tellura-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione;2-[(7,7,13,13-tetramethyl-3-thia-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]indene-1,3-dione is sourced from PubChem (CID 164998298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).