3,19,30,30-tetraphenyl-30-siladecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.024,29.032,36.016,37]heptatriaconta-1(36),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),24,26,28,32,34-octadecaene

C60H36Si — CID 155635480

About 3,19,30,30-tetraphenyl-30-siladecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.024,29.032,36.016,37]heptatriaconta-1(36),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),24,26,28,32,34-octadecaene

3,19,30,30-tetraphenyl-30-siladecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.024,29.032,36.016,37]heptatriaconta-1(36),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),24,26,28,32,34-octadecaene (PubChem CID 155635480) has the molecular formula C60H36Si and a molecular weight of 785.03 g/mol. Its IUPAC name is 3,19,30,30-tetraphenyl-30-siladecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.024,29.032,36.016,37]heptatriaconta-1(36),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),24,26,28,32,34-octadecaene.

Molecular Properties

• Compound Name: 3,19,30,30-tetraphenyl-30-siladecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.024,29.032,36.016,37]heptatriaconta-1(36),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),24,26,28,32,34-octadecaene
• PubChem CID: 155635480
• Molecular Formula: C60H36Si
• Molecular Weight: 785.03 g/mol
• Exact Mass: 784.26
• IUPAC Name: 3,19,30,30-tetraphenyl-30-siladecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.024,29.032,36.016,37]heptatriaconta-1(36),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),24,26,28,32,34-octadecaene
• SMILES: c1ccc(-c2c3cc4c5ccccc5c5cccc(c3c(-c3ccccc3)c3c6cccc7c8c(cc(c23)c76)-c2ccccc2[Si]8(c2ccccc2)c2ccccc2)c54)cc1
• InChI: InChI=1S/C60H36Si/c1-5-19-37(20-6-1)53-50-35-48-42-28-14-13-27-41(42)44-30-17-31-45(55(44)48)57(50)54(38-21-7-2-8-22-38)58-46-32-18-33-47-56(46)51(59(53)58)36-49-43-29-15-16-34-52(43)61(60(47)49,39-23-9-3-10-24-39)40-25-11-4-12-26-40/h1-36H
• InChIKey: XREBSCTZZUHEHO-UHFFFAOYSA-N
• XLogP: 13.33
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.03
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,19,30,30-tetraphenyl-30-siladecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.024,29.032,36.016,37]heptatriaconta-1(36),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),24,26,28,32,34-octadecaene?

The IUPAC name of 3,19,30,30-tetraphenyl-30-siladecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.024,29.032,36.016,37]heptatriaconta-1(36),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),24,26,28,32,34-octadecaene (CID 155635480) is 3,19,30,30-tetraphenyl-30-siladecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.024,29.032,36.016,37]heptatriaconta-1(36),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),24,26,28,32,34-octadecaene.

What is the SMILES notation for 3,19,30,30-tetraphenyl-30-siladecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.024,29.032,36.016,37]heptatriaconta-1(36),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),24,26,28,32,34-octadecaene?

The canonical SMILES for 3,19,30,30-tetraphenyl-30-siladecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.024,29.032,36.016,37]heptatriaconta-1(36),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),24,26,28,32,34-octadecaene is c1ccc(-c2c3cc4c5ccccc5c5cccc(c3c(-c3ccccc3)c3c6cccc7c8c(cc(c23)c76)-c2ccccc2[Si]8(c2ccccc2)c2ccccc2)c54)cc1.

What is the InChIKey of 3,19,30,30-tetraphenyl-30-siladecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.024,29.032,36.016,37]heptatriaconta-1(36),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),24,26,28,32,34-octadecaene?

The InChIKey is XREBSCTZZUHEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36Si/c1-5-19-37(20-6-1)53-50-35-48-42-28-14-13-27-41(42)44-30-17-31-45(55(44)48)57(50)54(38-21-7-2-8-22-38)58-46-32-18-33-47-56(46)51(59(53)58)36-49-43-29-15-16-34-52(43)61(60(47)49,39-23-9-3-10-24-39)40-25-11-4-12-26-40/h1-36H.

What are the key properties of 3,19,30,30-tetraphenyl-30-siladecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.024,29.032,36.016,37]heptatriaconta-1(36),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),24,26,28,32,34-octadecaene?

3,19,30,30-tetraphenyl-30-siladecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.024,29.032,36.016,37]heptatriaconta-1(36),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),24,26,28,32,34-octadecaene has a molecular weight of 785.03 g/mol, XLogP of 13.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3,19,30,30-tetraphenyl-30-siladecacyclo[19.14.1.15,9.02,20.04,18.010,15.023,31.024,29.032,36.016,37]heptatriaconta-1(36),2,4(18),5,7,9(37),10,12,14,16,19,21,23(31),24,26,28,32,34-octadecaene is sourced from PubChem (CID 155635480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).