10,10-dimethyl-17-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-14-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene

C54H40Si — CID 91257303

About 10,10-dimethyl-17-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-14-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene

10,10-dimethyl-17-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-14-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene (PubChem CID 91257303) has the molecular formula C54H40Si and a molecular weight of 717.00 g/mol. Its IUPAC name is 10,10-dimethyl-17-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-14-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene.

Molecular Properties

• Compound Name: 10,10-dimethyl-17-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-14-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene
• PubChem CID: 91257303
• Molecular Formula: C54H40Si
• Molecular Weight: 717.00 g/mol
• Exact Mass: 716.29
• IUPAC Name: 10,10-dimethyl-17-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-14-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene
• SMILES: C[Si]1(C)C2=C(C=CCC2)c2cc3c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5ccc6ccccc6c5)cc4c(-c4ccccc4)c3cc21
• InChI: InChI=1S/C54H40Si/c1-55(2)51-22-11-10-20-45(51)47-33-49-50(34-52(47)55)54(38-15-4-3-5-16-38)48-32-42(41-28-23-35-13-6-7-17-40(35)31-41)29-30-46(48)53(49)39-26-24-37(25-27-39)44-21-12-18-36-14-8-9-19-43(36)44/h3-10,12-21,23-34H,11,22H2,1-2H3
• InChIKey: IHFGPAMYESNFLY-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.00
LogP ≤ 5	14.54
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-17-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-14-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene?

The IUPAC name of 10,10-dimethyl-17-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-14-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene (CID 91257303) is 10,10-dimethyl-17-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-14-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene.

What is the SMILES notation for 10,10-dimethyl-17-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-14-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene?

The canonical SMILES for 10,10-dimethyl-17-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-14-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene is C[Si]1(C)C2=C(C=CCC2)c2cc3c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5ccc6ccccc6c5)cc4c(-c4ccccc4)c3cc21.

What is the InChIKey of 10,10-dimethyl-17-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-14-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene?

The InChIKey is IHFGPAMYESNFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40Si/c1-55(2)51-22-11-10-20-45(51)47-33-49-50(34-52(47)55)54(38-15-4-3-5-16-38)48-32-42(41-28-23-35-13-6-7-17-40(35)31-41)29-30-46(48)53(49)39-26-24-37(25-27-39)44-21-12-18-36-14-8-9-19-43(36)44/h3-10,12-21,23-34H,11,22H2,1-2H3.

What are the key properties of 10,10-dimethyl-17-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-14-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene?

10,10-dimethyl-17-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-14-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene has a molecular weight of 717.00 g/mol, XLogP of 14.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-17-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-14-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene is sourced from PubChem (CID 91257303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).