9,20,20,24-tetramethyl-5-(4-methylphenyl)-15,30-dioxa-8,12,23,27-tetrathia-5-aza-20-silanonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1(18),2,4(14),6(13),7(11),9,16,19(29),21(28),22(26),24-undecaene

C33H23NO2S4Si — CID 58340100

About 9,20,20,24-tetramethyl-5-(4-methylphenyl)-15,30-dioxa-8,12,23,27-tetrathia-5-aza-20-silanonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1(18),2,4(14),6(13),7(11),9,16,19(29),21(28),22(26),24-undecaene

9,20,20,24-tetramethyl-5-(4-methylphenyl)-15,30-dioxa-8,12,23,27-tetrathia-5-aza-20-silanonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1(18),2,4(14),6(13),7(11),9,16,19(29),21(28),22(26),24-undecaene (PubChem CID 58340100) has the molecular formula C33H23NO2S4Si and a molecular weight of 621.91 g/mol. Its IUPAC name is 9,20,20,24-tetramethyl-5-(4-methylphenyl)-15,30-dioxa-8,12,23,27-tetrathia-5-aza-20-silanonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1(18),2,4(14),6(13),7(11),9,16,19(29),21(28),22(26),24-undecaene.

Molecular Properties

• Compound Name: 9,20,20,24-tetramethyl-5-(4-methylphenyl)-15,30-dioxa-8,12,23,27-tetrathia-5-aza-20-silanonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1(18),2,4(14),6(13),7(11),9,16,19(29),21(28),22(26),24-undecaene
• PubChem CID: 58340100
• Molecular Formula: C33H23NO2S4Si
• Molecular Weight: 621.91 g/mol
• Exact Mass: 621.04
• IUPAC Name: 9,20,20,24-tetramethyl-5-(4-methylphenyl)-15,30-dioxa-8,12,23,27-tetrathia-5-aza-20-silanonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1(18),2,4(14),6(13),7(11),9,16,19(29),21(28),22(26),24-undecaene
• SMILES: Cc1ccc(-n2c3c4cc5oc6c(c5cc4oc3c3sc4cc(C)sc4c32)[Si](C)(C)c2c-6sc3cc(C)sc23)cc1
• InChI: InChI=1S/C33H23NO2S4Si/c1-14-6-8-17(9-7-14)34-24-18-12-21-19(13-20(18)35-26(24)30-25(34)28-22(39-30)10-15(2)37-28)32-27(36-21)31-33(41(32,4)5)29-23(40-31)11-16(3)38-29/h6-13H,1-5H3
• InChIKey: OBEPMLUUGOHTAC-UHFFFAOYSA-N
• XLogP: 10.56
• TPSA: 31.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.91
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,20,20,24-tetramethyl-5-(4-methylphenyl)-15,30-dioxa-8,12,23,27-tetrathia-5-aza-20-silanonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1(18),2,4(14),6(13),7(11),9,16,19(29),21(28),22(26),24-undecaene?

The IUPAC name of 9,20,20,24-tetramethyl-5-(4-methylphenyl)-15,30-dioxa-8,12,23,27-tetrathia-5-aza-20-silanonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1(18),2,4(14),6(13),7(11),9,16,19(29),21(28),22(26),24-undecaene (CID 58340100) is 9,20,20,24-tetramethyl-5-(4-methylphenyl)-15,30-dioxa-8,12,23,27-tetrathia-5-aza-20-silanonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1(18),2,4(14),6(13),7(11),9,16,19(29),21(28),22(26),24-undecaene.

What is the SMILES notation for 9,20,20,24-tetramethyl-5-(4-methylphenyl)-15,30-dioxa-8,12,23,27-tetrathia-5-aza-20-silanonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1(18),2,4(14),6(13),7(11),9,16,19(29),21(28),22(26),24-undecaene?

The canonical SMILES for 9,20,20,24-tetramethyl-5-(4-methylphenyl)-15,30-dioxa-8,12,23,27-tetrathia-5-aza-20-silanonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1(18),2,4(14),6(13),7(11),9,16,19(29),21(28),22(26),24-undecaene is Cc1ccc(-n2c3c4cc5oc6c(c5cc4oc3c3sc4cc(C)sc4c32)[Si](C)(C)c2c-6sc3cc(C)sc23)cc1.

What is the InChIKey of 9,20,20,24-tetramethyl-5-(4-methylphenyl)-15,30-dioxa-8,12,23,27-tetrathia-5-aza-20-silanonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1(18),2,4(14),6(13),7(11),9,16,19(29),21(28),22(26),24-undecaene?

The InChIKey is OBEPMLUUGOHTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NO2S4Si/c1-14-6-8-17(9-7-14)34-24-18-12-21-19(13-20(18)35-26(24)30-25(34)28-22(39-30)10-15(2)37-28)32-27(36-21)31-33(41(32,4)5)29-23(40-31)11-16(3)38-29/h6-13H,1-5H3.

What are the key properties of 9,20,20,24-tetramethyl-5-(4-methylphenyl)-15,30-dioxa-8,12,23,27-tetrathia-5-aza-20-silanonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1(18),2,4(14),6(13),7(11),9,16,19(29),21(28),22(26),24-undecaene?

9,20,20,24-tetramethyl-5-(4-methylphenyl)-15,30-dioxa-8,12,23,27-tetrathia-5-aza-20-silanonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1(18),2,4(14),6(13),7(11),9,16,19(29),21(28),22(26),24-undecaene has a molecular weight of 621.91 g/mol, XLogP of 10.56, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9,20,20,24-tetramethyl-5-(4-methylphenyl)-15,30-dioxa-8,12,23,27-tetrathia-5-aza-20-silanonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1(18),2,4(14),6(13),7(11),9,16,19(29),21(28),22(26),24-undecaene is sourced from PubChem (CID 58340100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).