2-[2-(9,9-dimethylspiro[9-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,2'-adamantane]-17-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C55H45N3Si — CID 168834600

About 2-[2-(9,9-dimethylspiro[9-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,2'-adamantane]-17-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-[2-(9,9-dimethylspiro[9-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,2'-adamantane]-17-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 168834600) has the molecular formula C55H45N3Si and a molecular weight of 776.07 g/mol. Its IUPAC name is 2-[2-(9,9-dimethylspiro[9-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,2'-adamantane]-17-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[2-(9,9-dimethylspiro[9-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,2'-adamantane]-17-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
• PubChem CID: 168834600
• Molecular Formula: C55H45N3Si
• Molecular Weight: 776.07 g/mol
• Exact Mass: 775.34
• IUPAC Name: 2-[2-(9,9-dimethylspiro[9-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,2'-adamantane]-17-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
• SMILES: C[Si]1(C)c2ccccc2-c2c1ccc1c2-c2ccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cc2C12C1CC3CC(C1)CC2C3
• InChI: InChI=1S/C55H45N3Si/c1-59(2)48-19-11-10-18-45(48)51-49(59)25-24-46-50(51)44-23-22-38(32-47(44)55(46)40-27-33-26-34(29-40)30-41(55)28-33)42-16-8-9-17-43(42)54-57-52(36-13-4-3-5-14-36)56-53(58-54)39-21-20-35-12-6-7-15-37(35)31-39/h3-25,31-34,40-41H,26-30H2,1-2H3
• InChIKey: BIHBUFGIAKWAEP-UHFFFAOYSA-N
• XLogP: 12.22
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.07
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9,9-dimethylspiro[9-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,2'-adamantane]-17-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-[2-(9,9-dimethylspiro[9-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,2'-adamantane]-17-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 168834600) is 2-[2-(9,9-dimethylspiro[9-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,2'-adamantane]-17-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-[2-(9,9-dimethylspiro[9-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,2'-adamantane]-17-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-[2-(9,9-dimethylspiro[9-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,2'-adamantane]-17-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is C[Si]1(C)c2ccccc2-c2c1ccc1c2-c2ccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cc2C12C1CC3CC(C1)CC2C3.

What is the InChIKey of 2-[2-(9,9-dimethylspiro[9-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,2'-adamantane]-17-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

The InChIKey is BIHBUFGIAKWAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45N3Si/c1-59(2)48-19-11-10-18-45(48)51-49(59)25-24-46-50(51)44-23-22-38(32-47(44)55(46)40-27-33-26-34(29-40)30-41(55)28-33)42-16-8-9-17-43(42)54-57-52(36-13-4-3-5-14-36)56-53(58-54)39-21-20-35-12-6-7-15-37(35)31-39/h3-25,31-34,40-41H,26-30H2,1-2H3.

What are the key properties of 2-[2-(9,9-dimethylspiro[9-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,2'-adamantane]-17-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

2-[2-(9,9-dimethylspiro[9-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,2'-adamantane]-17-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 776.07 g/mol, XLogP of 12.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(9,9-dimethylspiro[9-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,2'-adamantane]-17-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 168834600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).