14,14-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine

C48H35NOSi — CID 164937679

About 14,14-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine

14,14-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine (PubChem CID 164937679) has the molecular formula C48H35NOSi and a molecular weight of 669.90 g/mol. Its IUPAC name is 14,14-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine.

Molecular Properties

• Compound Name: 14,14-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
• PubChem CID: 164937679
• Molecular Formula: C48H35NOSi
• Molecular Weight: 669.90 g/mol
• Exact Mass: 669.25
• IUPAC Name: 14,14-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
• SMILES: C[Si]1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccccc3-c3ccc4ccccc4c3)ccc2-c2c1ccc1oc3ccccc3c21
• InChI: InChI=1S/C48H35NOSi/c1-51(2)45-28-27-44-47(40-20-9-11-22-43(40)50-44)48(45)41-26-25-38(31-46(41)51)49(37-18-12-17-35(30-37)32-13-4-3-5-14-32)42-21-10-8-19-39(42)36-24-23-33-15-6-7-16-34(33)29-36/h3-31H,1-2H3
• InChIKey: VEMBZVYPCOAFEN-UHFFFAOYSA-N
• XLogP: 12.35
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.90
LogP ≤ 5	12.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

The IUPAC name of 14,14-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine (CID 164937679) is 14,14-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine.

What is the SMILES notation for 14,14-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

The canonical SMILES for 14,14-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine is C[Si]1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccccc3-c3ccc4ccccc4c3)ccc2-c2c1ccc1oc3ccccc3c21.

What is the InChIKey of 14,14-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

The InChIKey is VEMBZVYPCOAFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35NOSi/c1-51(2)45-28-27-44-47(40-20-9-11-22-43(40)50-44)48(45)41-26-25-38(31-46(41)51)49(37-18-12-17-35(30-37)32-13-4-3-5-14-32)42-21-10-8-19-39(42)36-24-23-33-15-6-7-16-34(33)29-36/h3-31H,1-2H3.

What are the key properties of 14,14-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

14,14-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine has a molecular weight of 669.90 g/mol, XLogP of 12.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine is sourced from PubChem (CID 164937679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).