10,10-bis(3,4-dimethylphenyl)-21,21-dimethyl-14-spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,15'-4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C70H49NS3Si — CID 153278255

About 10,10-bis(3,4-dimethylphenyl)-21,21-dimethyl-14-spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,15'-4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

10,10-bis(3,4-dimethylphenyl)-21,21-dimethyl-14-spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,15'-4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 153278255) has the molecular formula C70H49NS3Si and a molecular weight of 1028.46 g/mol. Its IUPAC name is 10,10-bis(3,4-dimethylphenyl)-21,21-dimethyl-14-spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,15'-4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 10,10-bis(3,4-dimethylphenyl)-21,21-dimethyl-14-spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,15'-4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 153278255
• Molecular Formula: C70H49NS3Si
• Molecular Weight: 1028.46 g/mol
• Exact Mass: 1027.28
• IUPAC Name: 10,10-bis(3,4-dimethylphenyl)-21,21-dimethyl-14-spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,15'-4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• SMILES: Cc1ccc([Si]2(c3ccc(C)c(C)c3)c3ccccc3-c3cc4c(cc32)N(c2cccc3c2sc2c5c(ccc23)C2(c3ccsc3-c3sccc32)c2ccc3c6c(ccc-5c26)C=C3)c2ccccc2C4(C)C)cc1C
• InChI: InChI=1S/C70H49NS3Si/c1-38-18-24-44(34-40(38)3)75(45-25-19-39(2)41(4)35-45)60-17-10-7-12-46(60)50-36-56-59(37-61(50)75)71(57-15-9-8-14-51(57)69(56,5)6)58-16-11-13-47-48-27-29-53-64(66(48)74-65(47)58)49-26-22-42-20-21-43-23-28-52(63(49)62(42)43)70(53)54-30-32-72-67(54)68-55(70)31-33-73-68/h7-37H,1-6H3
• InChIKey: WPOXKJQFYBGHSM-UHFFFAOYSA-N
• XLogP: 16.86
• TPSA: 3.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1028.46
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,10-bis(3,4-dimethylphenyl)-21,21-dimethyl-14-spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,15'-4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The IUPAC name of 10,10-bis(3,4-dimethylphenyl)-21,21-dimethyl-14-spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,15'-4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 153278255) is 10,10-bis(3,4-dimethylphenyl)-21,21-dimethyl-14-spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,15'-4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

What is the SMILES notation for 10,10-bis(3,4-dimethylphenyl)-21,21-dimethyl-14-spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,15'-4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The canonical SMILES for 10,10-bis(3,4-dimethylphenyl)-21,21-dimethyl-14-spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,15'-4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is Cc1ccc([Si]2(c3ccc(C)c(C)c3)c3ccccc3-c3cc4c(cc32)N(c2cccc3c2sc2c5c(ccc23)C2(c3ccsc3-c3sccc32)c2ccc3c6c(ccc-5c26)C=C3)c2ccccc2C4(C)C)cc1C.

What is the InChIKey of 10,10-bis(3,4-dimethylphenyl)-21,21-dimethyl-14-spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,15'-4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The InChIKey is WPOXKJQFYBGHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49NS3Si/c1-38-18-24-44(34-40(38)3)75(45-25-19-39(2)41(4)35-45)60-17-10-7-12-46(60)50-36-56-59(37-61(50)75)71(57-15-9-8-14-51(57)69(56,5)6)58-16-11-13-47-48-27-29-53-64(66(48)74-65(47)58)49-26-22-42-20-21-43-23-28-52(63(49)62(42)43)70(53)54-30-32-72-67(54)68-55(70)31-33-73-68/h7-37H,1-6H3.

What are the key properties of 10,10-bis(3,4-dimethylphenyl)-21,21-dimethyl-14-spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,15'-4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

10,10-bis(3,4-dimethylphenyl)-21,21-dimethyl-14-spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,15'-4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 1028.46 g/mol, XLogP of 16.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-bis(3,4-dimethylphenyl)-21,21-dimethyl-14-spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,15'-4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 153278255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).