14,14-dimethyl-N-naphtho[1,2-b][1]benzofuran-1-yl-N-phenyl-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

C42H29NO2Si — CID 164937671

About 14,14-dimethyl-N-naphtho[1,2-b][1]benzofuran-1-yl-N-phenyl-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-naphtho[1,2-b][1]benzofuran-1-yl-N-phenyl-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 164937671) has the molecular formula C42H29NO2Si and a molecular weight of 607.79 g/mol. Its IUPAC name is 14,14-dimethyl-N-naphtho[1,2-b][1]benzofuran-1-yl-N-phenyl-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-naphtho[1,2-b][1]benzofuran-1-yl-N-phenyl-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: 164937671
• Molecular Formula: C42H29NO2Si
• Molecular Weight: 607.79 g/mol
• Exact Mass: 607.20
• IUPAC Name: 14,14-dimethyl-N-naphtho[1,2-b][1]benzofuran-1-yl-N-phenyl-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(c3ccccc3)c3cccc4ccc5c6ccccc6oc5c34)ccc2-c2c1ccc1oc3ccccc3c21
• InChI: InChI=1S/C42H29NO2Si/c1-46(2)37-24-23-36-40(31-15-7-9-18-35(31)44-36)41(37)32-22-20-28(25-38(32)46)43(27-12-4-3-5-13-27)33-16-10-11-26-19-21-30-29-14-6-8-17-34(29)45-42(30)39(26)33/h3-25H,1-2H3
• InChIKey: XOJMQAFFSCZIFO-UHFFFAOYSA-N
• XLogP: 10.91
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.79
LogP ≤ 5	10.91
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 14,14-dimethyl-N-naphtho[1,2-b][1]benzofuran-1-yl-N-phenyl-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-naphtho[1,2-b][1]benzofuran-1-yl-N-phenyl-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 164937671) is 14,14-dimethyl-N-naphtho[1,2-b][1]benzofuran-1-yl-N-phenyl-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-naphtho[1,2-b][1]benzofuran-1-yl-N-phenyl-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-naphtho[1,2-b][1]benzofuran-1-yl-N-phenyl-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(c3ccccc3)c3cccc4ccc5c6ccccc6oc5c34)ccc2-c2c1ccc1oc3ccccc3c21.

What is the InChIKey of 14,14-dimethyl-N-naphtho[1,2-b][1]benzofuran-1-yl-N-phenyl-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 XOJMQAFFSCZIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NO2Si/c1-46(2)37-24-23-36-40(31-15-7-9-18-35(31)44-36)41(37)32-22-20-28(25-38(32)46)43(27-12-4-3-5-13-27)33-16-10-11-26-19-21-30-29-14-6-8-17-34(29)45-42(30)39(26)33/h3-25H,1-2H3.

What are the key properties of 14,14-dimethyl-N-naphtho[1,2-b][1]benzofuran-1-yl-N-phenyl-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-naphtho[1,2-b][1]benzofuran-1-yl-N-phenyl-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 607.79 g/mol, XLogP of 10.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14-dimethyl-N-naphtho[1,2-b][1]benzofuran-1-yl-N-phenyl-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 164937671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).