N-(14,14-dimethyl-9-thia-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-yl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine

C48H33NOSSi — CID 164937727

About N-(14,14-dimethyl-9-thia-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-yl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine

N-(14,14-dimethyl-9-thia-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-yl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine (PubChem CID 164937727) has the molecular formula C48H33NOSSi and a molecular weight of 699.95 g/mol. Its IUPAC name is N-(14,14-dimethyl-9-thia-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-yl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

• Compound Name: N-(14,14-dimethyl-9-thia-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-yl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
• PubChem CID: 164937727
• Molecular Formula: C48H33NOSSi
• Molecular Weight: 699.95 g/mol
• Exact Mass: 699.21
• IUPAC Name: N-(14,14-dimethyl-9-thia-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-yl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
• SMILES: C[Si]1(C)c2cc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)oc3ccccc34)ccc2-c2c1ccc1sc3ccccc3c21
• InChI: InChI=1S/C48H33NOSSi/c1-52(2)45-26-25-44-47(39-17-6-8-20-43(39)51-44)48(45)40-24-22-34(29-46(40)52)49(33-21-23-38-37-16-5-7-19-41(37)50-42(38)28-33)32-14-9-13-31(27-32)36-18-10-12-30-11-3-4-15-35(30)36/h3-29H,1-2H3
• InChIKey: OEHABTRHAPCBIQ-UHFFFAOYSA-N
• XLogP: 13.05
• TPSA: 16.38 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.95
LogP ≤ 5	13.05
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 N-(14,14-dimethyl-9-thia-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-yl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine?

The IUPAC name of N-(14,14-dimethyl-9-thia-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-yl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine (CID 164937727) is N-(14,14-dimethyl-9-thia-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-yl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine.

What is the SMILES notation for N-(14,14-dimethyl-9-thia-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-yl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine?

The canonical SMILES for N-(14,14-dimethyl-9-thia-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-yl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine is C[Si]1(C)c2cc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)oc3ccccc34)ccc2-c2c1ccc1sc3ccccc3c21.

What is the InChIKey of N-(14,14-dimethyl-9-thia-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-yl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine?

The InChIKey is OEHABTRHAPCBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NOSSi/c1-52(2)45-26-25-44-47(39-17-6-8-20-43(39)51-44)48(45)40-24-22-34(29-46(40)52)49(33-21-23-38-37-16-5-7-19-41(37)50-42(38)28-33)32-14-9-13-31(27-32)36-18-10-12-30-11-3-4-15-35(30)36/h3-29H,1-2H3.

What are the key properties of N-(14,14-dimethyl-9-thia-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-yl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine?

N-(14,14-dimethyl-9-thia-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-yl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine has a molecular weight of 699.95 g/mol, XLogP of 13.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(14,14-dimethyl-9-thia-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-yl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 164937727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).