10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C54H38Si — CID 58175443

About 10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 58175443) has the molecular formula C54H38Si and a molecular weight of 714.98 g/mol. Its IUPAC name is 10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• PubChem CID: 58175443
• Molecular Formula: C54H38Si
• Molecular Weight: 714.98 g/mol
• Exact Mass: 714.27
• IUPAC Name: 10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• SMILES: C[Si]1(C)c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccc(-c5ccccc5-c5ccccc5)cc4c(-c4ccc5ccccc5c4)c3cc21
• InChI: InChI=1S/C54H38Si/c1-55(2)51-23-13-12-22-45(51)47-33-49-50(34-52(47)55)54(42-27-25-36-15-7-9-19-39(36)31-42)48-32-40(44-21-11-10-20-43(44)37-16-4-3-5-17-37)28-29-46(48)53(49)41-26-24-35-14-6-8-18-38(35)30-41/h3-34H,1-2H3
• InChIKey: XRJRYPOSUMESKD-UHFFFAOYSA-N
• XLogP: 13.77
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.98
LogP ≤ 5	13.77
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_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The IUPAC name of 10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 58175443) is 10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

What is the SMILES notation for 10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The canonical SMILES for 10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is C[Si]1(C)c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccc(-c5ccccc5-c5ccccc5)cc4c(-c4ccc5ccccc5c4)c3cc21.

What is the InChIKey of 10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The InChIKey is XRJRYPOSUMESKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38Si/c1-55(2)51-23-13-12-22-45(51)47-33-49-50(34-52(47)55)54(42-27-25-36-15-7-9-19-39(36)31-42)48-32-40(44-21-11-10-20-43(44)37-16-4-3-5-17-37)28-29-46(48)53(49)41-26-24-35-14-6-8-18-38(35)30-41/h3-34H,1-2H3.

What are the key properties of 10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 714.98 g/mol, XLogP of 13.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 58175443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).