(5,5,8,8,16,16,19,19,29,29-decamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23(32),24,30-nonaenyl)-[(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-phenylsilylidene]-phenylsilane

C98H116Si2 — CID 177455095

About (5,5,8,8,16,16,19,19,29,29-decamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23(32),24,30-nonaenyl)-[(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-phenylsilylidene]-phenylsilane

(5,5,8,8,16,16,19,19,29,29-decamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23(32),24,30-nonaenyl)-[(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-phenylsilylidene]-phenylsilane (PubChem CID 177455095) has the molecular formula C98H116Si2 and a molecular weight of 1350.18 g/mol. Its IUPAC name is (5,5,8,8,16,16,19,19,29,29-decamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23(32),24,30-nonaenyl)-[(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-phenylsilylidene]-phenylsilane.

Molecular Properties

• Compound Name: (5,5,8,8,16,16,19,19,29,29-decamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23(32),24,30-nonaenyl)-[(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-phenylsilylidene]-phenylsilane
• PubChem CID: 177455095
• Molecular Formula: C98H116Si2
• Molecular Weight: 1350.18 g/mol
• Exact Mass: 1348.86
• IUPAC Name: (5,5,8,8,16,16,19,19,29,29-decamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23(32),24,30-nonaenyl)-[(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-phenylsilylidene]-phenylsilane
• SMILES: CC1(C)CCCc2cc3c(cc21)C1c2cc4c(cc2C3([Si](c2ccccc2)=[Si](c2ccccc2)C23c5cc6c(cc5C(c5cc7c(cc52)C(C)(C)CCC7(C)C)c2cc5c(cc23)C(C)(C)CCC5(C)C)C(C)(C)CCC6(C)C)c2cc3c(cc21)C(C)(C)CCC3(C)C)C(C)(C)CCC4(C)C
• InChI: InChI=1S/C98H116Si2/c1-86(2)35-29-30-58-46-68-61(47-67(58)86)84-62-48-74-79(92(13,14)41-36-87(74,3)4)53-69(62)97(68,70-54-80-75(49-63(70)84)88(5,6)37-42-93(80,15)16)99(59-31-25-23-26-32-59)100(60-33-27-24-28-34-60)98-71-55-81-76(89(7,8)38-43-94(81,17)18)50-64(71)85(65-51-77-82(56-72(65)98)95(19,20)44-39-90(77,9)10)66-52-78-83(57-73(66)98)96(21,22)45-40-91(78,11)12/h23-28,31-34,46-57,84-85H,29-30,35-45H2,1-22H3
• InChIKey: KSRQZDOTADWFFA-UHFFFAOYSA-N
• XLogP: 22.99
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1350.18
LogP ≤ 5	22.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5,5,8,8,16,16,19,19,29,29-decamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23(32),24,30-nonaenyl)-[(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-phenylsilylidene]-phenylsilane?

The IUPAC name of (5,5,8,8,16,16,19,19,29,29-decamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23(32),24,30-nonaenyl)-[(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-phenylsilylidene]-phenylsilane (CID 177455095) is (5,5,8,8,16,16,19,19,29,29-decamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23(32),24,30-nonaenyl)-[(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-phenylsilylidene]-phenylsilane.

What is the SMILES notation for (5,5,8,8,16,16,19,19,29,29-decamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23(32),24,30-nonaenyl)-[(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-phenylsilylidene]-phenylsilane?

The canonical SMILES for (5,5,8,8,16,16,19,19,29,29-decamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23(32),24,30-nonaenyl)-[(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-phenylsilylidene]-phenylsilane is CC1(C)CCCc2cc3c(cc21)C1c2cc4c(cc2C3([Si](c2ccccc2)=[Si](c2ccccc2)C23c5cc6c(cc5C(c5cc7c(cc52)C(C)(C)CCC7(C)C)c2cc5c(cc23)C(C)(C)CCC5(C)C)C(C)(C)CCC6(C)C)c2cc3c(cc21)C(C)(C)CCC3(C)C)C(C)(C)CCC4(C)C.

What is the InChIKey of (5,5,8,8,16,16,19,19,29,29-decamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23(32),24,30-nonaenyl)-[(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-phenylsilylidene]-phenylsilane?

The InChIKey is KSRQZDOTADWFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H116Si2/c1-86(2)35-29-30-58-46-68-61(47-67(58)86)84-62-48-74-79(92(13,14)41-36-87(74,3)4)53-69(62)97(68,70-54-80-75(49-63(70)84)88(5,6)37-42-93(80,15)16)99(59-31-25-23-26-32-59)100(60-33-27-24-28-34-60)98-71-55-81-76(89(7,8)38-43-94(81,17)18)50-64(71)85(65-51-77-82(56-72(65)98)95(19,20)44-39-90(77,9)10)66-52-78-83(57-73(66)98)96(21,22)45-40-91(78,11)12/h23-28,31-34,46-57,84-85H,29-30,35-45H2,1-22H3.

What are the key properties of (5,5,8,8,16,16,19,19,29,29-decamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23(32),24,30-nonaenyl)-[(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-phenylsilylidene]-phenylsilane?

(5,5,8,8,16,16,19,19,29,29-decamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23(32),24,30-nonaenyl)-[(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-phenylsilylidene]-phenylsilane has a molecular weight of 1350.18 g/mol, XLogP of 22.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (5,5,8,8,16,16,19,19,29,29-decamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23(32),24,30-nonaenyl)-[(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-phenylsilylidene]-phenylsilane is sourced from PubChem (CID 177455095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).