10,10-dimethyl-14-naphthalen-1-yl-21-phenanthren-9-yl-7-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene

C52H36Si — CID 91257294

About 10,10-dimethyl-14-naphthalen-1-yl-21-phenanthren-9-yl-7-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene

10,10-dimethyl-14-naphthalen-1-yl-21-phenanthren-9-yl-7-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene (PubChem CID 91257294) has the molecular formula C52H36Si and a molecular weight of 688.95 g/mol. Its IUPAC name is 10,10-dimethyl-14-naphthalen-1-yl-21-phenanthren-9-yl-7-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 10,10-dimethyl-14-naphthalen-1-yl-21-phenanthren-9-yl-7-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
• PubChem CID: 91257294
• Molecular Formula: C52H36Si
• Molecular Weight: 688.95 g/mol
• Exact Mass: 688.26
• IUPAC Name: 10,10-dimethyl-14-naphthalen-1-yl-21-phenanthren-9-yl-7-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
• SMILES: C[Si]1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3cc21
• InChI: InChI=1S/C52H36Si/c1-53(2)49-30-35(33-15-4-3-5-16-33)27-28-41(49)45-31-47-48(32-50(45)53)51(42-26-14-19-34-17-6-8-20-37(34)42)43-24-12-13-25-44(43)52(47)46-29-36-18-7-9-21-38(36)39-22-10-11-23-40(39)46/h3-32H,1-2H3
• InChIKey: YMMYRYOCJVNTHX-UHFFFAOYSA-N
• XLogP: 13.26
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.95
LogP ≤ 5	13.26
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-14-naphthalen-1-yl-21-phenanthren-9-yl-7-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?

The IUPAC name of 10,10-dimethyl-14-naphthalen-1-yl-21-phenanthren-9-yl-7-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene (CID 91257294) is 10,10-dimethyl-14-naphthalen-1-yl-21-phenanthren-9-yl-7-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene.

What is the SMILES notation for 10,10-dimethyl-14-naphthalen-1-yl-21-phenanthren-9-yl-7-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?

The canonical SMILES for 10,10-dimethyl-14-naphthalen-1-yl-21-phenanthren-9-yl-7-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene is C[Si]1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3cc21.

What is the InChIKey of 10,10-dimethyl-14-naphthalen-1-yl-21-phenanthren-9-yl-7-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?

The InChIKey is YMMYRYOCJVNTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36Si/c1-53(2)49-30-35(33-15-4-3-5-16-33)27-28-41(49)45-31-47-48(32-50(45)53)51(42-26-14-19-34-17-6-8-20-37(34)42)43-24-12-13-25-44(43)52(47)46-29-36-18-7-9-21-38(36)39-22-10-11-23-40(39)46/h3-32H,1-2H3.

What are the key properties of 10,10-dimethyl-14-naphthalen-1-yl-21-phenanthren-9-yl-7-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?

10,10-dimethyl-14-naphthalen-1-yl-21-phenanthren-9-yl-7-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene has a molecular weight of 688.95 g/mol, XLogP of 13.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-14-naphthalen-1-yl-21-phenanthren-9-yl-7-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene is sourced from PubChem (CID 91257294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).