9,9-dimethyl-N-naphtho[1,2-b][1]benzofuran-3-yl-N-phenyl-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

C42H29NO2Si — CID 168768956

About 9,9-dimethyl-N-naphtho[1,2-b][1]benzofuran-3-yl-N-phenyl-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-naphtho[1,2-b][1]benzofuran-3-yl-N-phenyl-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 168768956) has the molecular formula C42H29NO2Si and a molecular weight of 607.79 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphtho[1,2-b][1]benzofuran-3-yl-N-phenyl-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-naphtho[1,2-b][1]benzofuran-3-yl-N-phenyl-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: 168768956
• Molecular Formula: C42H29NO2Si
• Molecular Weight: 607.79 g/mol
• Exact Mass: 607.20
• IUPAC Name: 9,9-dimethyl-N-naphtho[1,2-b][1]benzofuran-3-yl-N-phenyl-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(c3ccccc3)c3ccc4c(ccc5c6ccccc6oc45)c3)ccc2-c2c1ccc1c2oc2ccccc21
• InChI: InChI=1S/C42H29NO2Si/c1-46(2)38-23-22-34-32-13-7-9-15-37(32)45-42(34)40(38)35-21-18-29(25-39(35)46)43(27-10-4-3-5-11-27)28-17-20-30-26(24-28)16-19-33-31-12-6-8-14-36(31)44-41(30)33/h3-25H,1-2H3
• InChIKey: CKJLHXLJGFTKDT-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 9,9-dimethyl-N-naphtho[1,2-b][1]benzofuran-3-yl-N-phenyl-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-naphtho[1,2-b][1]benzofuran-3-yl-N-phenyl-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 168768956) is 9,9-dimethyl-N-naphtho[1,2-b][1]benzofuran-3-yl-N-phenyl-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-naphtho[1,2-b][1]benzofuran-3-yl-N-phenyl-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-naphtho[1,2-b][1]benzofuran-3-yl-N-phenyl-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(c3ccccc3)c3ccc4c(ccc5c6ccccc6oc45)c3)ccc2-c2c1ccc1c2oc2ccccc21.

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

What are the key properties of 9,9-dimethyl-N-naphtho[1,2-b][1]benzofuran-3-yl-N-phenyl-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-naphtho[1,2-b][1]benzofuran-3-yl-N-phenyl-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 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 9,9-dimethyl-N-naphtho[1,2-b][1]benzofuran-3-yl-N-phenyl-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 168768956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).