10,26-dimethyl-13,29-bis(4-methylphenyl)-16,32-dioxa-5,21-dithia-13,29-diazanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene;10,26-dimethyl-5,21-bis(4-methylphenyl)-29,29-diphenyl-13,16,32-trithia-5,21-diaza-29-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene

C96H66N4O2S5Si — CID 159524622

About 10,26-dimethyl-13,29-bis(4-methylphenyl)-16,32-dioxa-5,21-dithia-13,29-diazanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene;10,26-dimethyl-5,21-bis(4-methylphenyl)-29,29-diphenyl-13,16,32-trithia-5,21-diaza-29-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene

10,26-dimethyl-13,29-bis(4-methylphenyl)-16,32-dioxa-5,21-dithia-13,29-diazanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene;10,26-dimethyl-5,21-bis(4-methylphenyl)-29,29-diphenyl-13,16,32-trithia-5,21-diaza-29-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene (PubChem CID 159524622) has the molecular formula C96H66N4O2S5Si and a molecular weight of 1496.03 g/mol. Its IUPAC name is 10,26-dimethyl-13,29-bis(4-methylphenyl)-16,32-dioxa-5,21-dithia-13,29-diazanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene;10,26-dimethyl-5,21-bis(4-methylphenyl)-29,29-diphenyl-13,16,32-trithia-5,21-diaza-29-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene.

Molecular Properties

• Compound Name: 10,26-dimethyl-13,29-bis(4-methylphenyl)-16,32-dioxa-5,21-dithia-13,29-diazanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene;10,26-dimethyl-5,21-bis(4-methylphenyl)-29,29-diphenyl-13,16,32-trithia-5,21-diaza-29-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene
• PubChem CID: 159524622
• Molecular Formula: C96H66N4O2S5Si
• Molecular Weight: 1496.03 g/mol
• Exact Mass: 1494.36
• IUPAC Name: 10,26-dimethyl-13,29-bis(4-methylphenyl)-16,32-dioxa-5,21-dithia-13,29-diazanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene;10,26-dimethyl-5,21-bis(4-methylphenyl)-29,29-diphenyl-13,16,32-trithia-5,21-diaza-29-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene
• SMILES: Cc1ccc(-n2c3c(c4sc5cc6c(cc5c42)sc2c4sc5cc(C)ccc5c4n(-c4ccc(C)cc4)c62)[Si](c2ccccc2)(c2ccccc2)c2cc(C)ccc2-3)cc1.Cc1ccc(-n2c3cc(C)ccc3c3sc4c5cc6oc7c(sc8c9ccc(C)cc9n(-c9ccc(C)cc9)c78)c6cc5oc4c32)cc1
• InChI: InChI=1S/C54H38N2S3Si.C42H28N2O2S2/c1-31-15-21-35(22-16-31)55-47-39-25-19-33(3)27-43(39)57-51(47)52-48(55)41-29-45-42(30-44(41)58-52)49-53(59-45)54-50(56(49)36-23-17-32(2)18-24-36)40-26-20-34(4)28-46(40)60(54,37-11-7-5-8-12-37)38-13-9-6-10-14-38;1-21-5-11-25(12-6-21)43-31-17-23(3)9-15-27(31)39-35(43)37-41(47-39)29-19-34-30(20-33(29)45-37)42-38(46-34)36-40(48-42)28-16-10-24(4)18-32(28)44(36)26-13-7-22(2)8-14-26/h5-30H,1-4H3;5-20H,1-4H3
• InChIKey: MCFROHOKEBXQFM-UHFFFAOYSA-N
• XLogP: 26.00
• TPSA: 46.00 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1496.03
LogP ≤ 5	26.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,26-dimethyl-13,29-bis(4-methylphenyl)-16,32-dioxa-5,21-dithia-13,29-diazanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene;10,26-dimethyl-5,21-bis(4-methylphenyl)-29,29-diphenyl-13,16,32-trithia-5,21-diaza-29-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene?

The IUPAC name of 10,26-dimethyl-13,29-bis(4-methylphenyl)-16,32-dioxa-5,21-dithia-13,29-diazanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene;10,26-dimethyl-5,21-bis(4-methylphenyl)-29,29-diphenyl-13,16,32-trithia-5,21-diaza-29-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene (CID 159524622) is 10,26-dimethyl-13,29-bis(4-methylphenyl)-16,32-dioxa-5,21-dithia-13,29-diazanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene;10,26-dimethyl-5,21-bis(4-methylphenyl)-29,29-diphenyl-13,16,32-trithia-5,21-diaza-29-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene.

What is the SMILES notation for 10,26-dimethyl-13,29-bis(4-methylphenyl)-16,32-dioxa-5,21-dithia-13,29-diazanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene;10,26-dimethyl-5,21-bis(4-methylphenyl)-29,29-diphenyl-13,16,32-trithia-5,21-diaza-29-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene?

The canonical SMILES for 10,26-dimethyl-13,29-bis(4-methylphenyl)-16,32-dioxa-5,21-dithia-13,29-diazanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene;10,26-dimethyl-5,21-bis(4-methylphenyl)-29,29-diphenyl-13,16,32-trithia-5,21-diaza-29-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene is Cc1ccc(-n2c3c(c4sc5cc6c(cc5c42)sc2c4sc5cc(C)ccc5c4n(-c4ccc(C)cc4)c62)[Si](c2ccccc2)(c2ccccc2)c2cc(C)ccc2-3)cc1.Cc1ccc(-n2c3cc(C)ccc3c3sc4c5cc6oc7c(sc8c9ccc(C)cc9n(-c9ccc(C)cc9)c78)c6cc5oc4c32)cc1.

What is the InChIKey of 10,26-dimethyl-13,29-bis(4-methylphenyl)-16,32-dioxa-5,21-dithia-13,29-diazanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene;10,26-dimethyl-5,21-bis(4-methylphenyl)-29,29-diphenyl-13,16,32-trithia-5,21-diaza-29-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene?

The InChIKey is MCFROHOKEBXQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2S3Si.C42H28N2O2S2/c1-31-15-21-35(22-16-31)55-47-39-25-19-33(3)27-43(39)57-51(47)52-48(55)41-29-45-42(30-44(41)58-52)49-53(59-45)54-50(56(49)36-23-17-32(2)18-24-36)40-26-20-34(4)28-46(40)60(54,37-11-7-5-8-12-37)38-13-9-6-10-14-38;1-21-5-11-25(12-6-21)43-31-17-23(3)9-15-27(31)39-35(43)37-41(47-39)29-19-34-30(20-33(29)45-37)42-38(46-34)36-40(48-42)28-16-10-24(4)18-32(28)44(36)26-13-7-22(2)8-14-26/h5-30H,1-4H3;5-20H,1-4H3.

What are the key properties of 10,26-dimethyl-13,29-bis(4-methylphenyl)-16,32-dioxa-5,21-dithia-13,29-diazanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene;10,26-dimethyl-5,21-bis(4-methylphenyl)-29,29-diphenyl-13,16,32-trithia-5,21-diaza-29-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene?

10,26-dimethyl-13,29-bis(4-methylphenyl)-16,32-dioxa-5,21-dithia-13,29-diazanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene;10,26-dimethyl-5,21-bis(4-methylphenyl)-29,29-diphenyl-13,16,32-trithia-5,21-diaza-29-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene has a molecular weight of 1496.03 g/mol, XLogP of 26.00, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 10,26-dimethyl-13,29-bis(4-methylphenyl)-16,32-dioxa-5,21-dithia-13,29-diazanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene;10,26-dimethyl-5,21-bis(4-methylphenyl)-29,29-diphenyl-13,16,32-trithia-5,21-diaza-29-silanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7(12),8,10,17,20(31),22(30),23(28),24,26-tridecaene is sourced from PubChem (CID 159524622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).