N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-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

C50H39NOSi2 — CID 168768982

About N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-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

N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-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 168768982) has the molecular formula C50H39NOSi2 and a molecular weight of 726.04 g/mol. Its IUPAC name is N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-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: N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-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: 168768982
• Molecular Formula: C50H39NOSi2
• Molecular Weight: 726.04 g/mol
• Exact Mass: 725.26
• IUPAC Name: N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-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)c2ccccc2-c2c(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)[Si](C)(C)c3ccc5c(oc6ccccc65)c3-4)cccc21
• InChI: InChI=1S/C50H39NOSi2/c1-53(2)44-24-10-8-20-40(44)48-42(22-13-25-45(48)53)51(34-17-11-16-33(30-34)37-21-12-15-32-14-5-6-18-36(32)37)35-26-27-41-47(31-35)54(3,4)46-29-28-39-38-19-7-9-23-43(38)52-50(39)49(41)46/h5-31H,1-4H3
• InChIKey: UALNCIIOVJXZGG-UHFFFAOYSA-N
• XLogP: 11.48
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.04
LogP ≤ 5	11.48
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 N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-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 N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-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 168768982) is N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-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 N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-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 N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-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)c2ccccc2-c2c(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)[Si](C)(C)c3ccc5c(oc6ccccc65)c3-4)cccc21.

What is the InChIKey of N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-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 UALNCIIOVJXZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39NOSi2/c1-53(2)44-24-10-8-20-40(44)48-42(22-13-25-45(48)53)51(34-17-11-16-33(30-34)37-21-12-15-32-14-5-6-18-36(32)37)35-26-27-41-47(31-35)54(3,4)46-29-28-39-38-19-7-9-23-43(38)52-50(39)49(41)46/h5-31H,1-4H3.

What are the key properties of N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-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?

N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-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 726.04 g/mol, XLogP of 11.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-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 168768982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).