9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine

C48H35NOSi — CID 159581585

About 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine

9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine (PubChem CID 159581585) has the molecular formula C48H35NOSi and a molecular weight of 669.90 g/mol. Its IUPAC name is 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine
• PubChem CID: 159581585
• Molecular Formula: C48H35NOSi
• Molecular Weight: 669.90 g/mol
• Exact Mass: 669.25
• IUPAC Name: 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine
• SMILES: C[Si]1(C)c2cc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc3-c3ccccc3)ccc2-c2c1ccc1c2oc2ccccc21
• InChI: InChI=1S/C48H35NOSi/c1-51(2)45-28-27-41-40-20-9-11-22-44(40)50-48(41)47(45)42-26-25-38(31-46(42)51)49(43-21-10-8-19-39(43)33-14-4-3-5-15-33)37-18-12-17-35(30-37)36-24-23-32-13-6-7-16-34(32)29-36/h3-31H,1-2H3
• InChIKey: SDRPFWMXXJAKOD-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 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine?

The IUPAC name of 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine (CID 159581585) is 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine.

What is the SMILES notation for 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine?

The canonical SMILES for 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine is C[Si]1(C)c2cc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc3-c3ccccc3)ccc2-c2c1ccc1c2oc2ccccc21.

What is the InChIKey of 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine?

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

What are the key properties of 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine?

9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-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 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine is sourced from PubChem (CID 159581585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).