10,10-dimethyl-21-naphthalen-1-yl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene

C50H36Si — CID 173480620

About 10,10-dimethyl-21-naphthalen-1-yl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene

10,10-dimethyl-21-naphthalen-1-yl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene (PubChem CID 173480620) has the molecular formula C50H36Si and a molecular weight of 664.92 g/mol. Its IUPAC name is 10,10-dimethyl-21-naphthalen-1-yl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 10,10-dimethyl-21-naphthalen-1-yl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
• PubChem CID: 173480620
• Molecular Formula: C50H36Si
• Molecular Weight: 664.92 g/mol
• Exact Mass: 664.26
• IUPAC Name: 10,10-dimethyl-21-naphthalen-1-yl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
• SMILES: C[Si]1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(-c4cccc5ccccc45)c4ccc(-c5ccccc5)cc4c(-c4ccccc4)c3cc21
• InChI: InChI=1S/C50H36Si/c1-51(2)47-30-38(34-17-8-4-9-18-34)25-27-40(47)43-31-45-46(32-48(43)51)49(36-20-10-5-11-21-36)44-29-37(33-15-6-3-7-16-33)26-28-42(44)50(45)41-24-14-22-35-19-12-13-23-39(35)41/h3-32H,1-2H3
• InChIKey: MNCHTDFDJCYHAM-UHFFFAOYSA-N
• XLogP: 12.62
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.92
LogP ≤ 5	12.62
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-21-naphthalen-1-yl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene?

The IUPAC name of 10,10-dimethyl-21-naphthalen-1-yl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene (CID 173480620) is 10,10-dimethyl-21-naphthalen-1-yl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene.

What is the SMILES notation for 10,10-dimethyl-21-naphthalen-1-yl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene?

The canonical SMILES for 10,10-dimethyl-21-naphthalen-1-yl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene is C[Si]1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(-c4cccc5ccccc45)c4ccc(-c5ccccc5)cc4c(-c4ccccc4)c3cc21.

What is the InChIKey of 10,10-dimethyl-21-naphthalen-1-yl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene?

The InChIKey is MNCHTDFDJCYHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36Si/c1-51(2)47-30-38(34-17-8-4-9-18-34)25-27-40(47)43-31-45-46(32-48(43)51)49(36-20-10-5-11-21-36)44-29-37(33-15-6-3-7-16-33)26-28-42(44)50(45)41-24-14-22-35-19-12-13-23-39(35)41/h3-32H,1-2H3.

What are the key properties of 10,10-dimethyl-21-naphthalen-1-yl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene?

10,10-dimethyl-21-naphthalen-1-yl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene has a molecular weight of 664.92 g/mol, XLogP of 12.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-21-naphthalen-1-yl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene is sourced from PubChem (CID 173480620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).