N-(5,5-dimethyldibenzothiophen-2-yl)-9,9-dimethyl-N-(3-naphthalen-2-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

C50H39NOSSi — CID 168768857

About N-(5,5-dimethyldibenzothiophen-2-yl)-9,9-dimethyl-N-(3-naphthalen-2-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-dimethyldibenzothiophen-2-yl)-9,9-dimethyl-N-(3-naphthalen-2-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 168768857) has the molecular formula C50H39NOSSi and a molecular weight of 730.02 g/mol. Its IUPAC name is N-(5,5-dimethyldibenzothiophen-2-yl)-9,9-dimethyl-N-(3-naphthalen-2-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-dimethyldibenzothiophen-2-yl)-9,9-dimethyl-N-(3-naphthalen-2-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: 168768857
• Molecular Formula: C50H39NOSSi
• Molecular Weight: 730.02 g/mol
• Exact Mass: 729.25
• IUPAC Name: N-(5,5-dimethyldibenzothiophen-2-yl)-9,9-dimethyl-N-(3-naphthalen-2-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)c2cc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4c(c3)-c3ccccc3S4(C)C)ccc2-c2c1ccc1c2oc2ccccc21
• InChI: InChI=1S/C50H39NOSSi/c1-53(2)45-19-10-8-17-40(45)43-30-37(23-26-46(43)53)51(36-15-11-14-34(29-36)35-21-20-32-12-5-6-13-33(32)28-35)38-22-24-42-48(31-38)54(3,4)47-27-25-41-39-16-7-9-18-44(39)52-50(41)49(42)47/h5-31H,1-4H3
• InChIKey: XPUNTWPOYTUIHB-UHFFFAOYSA-N
• XLogP: 13.14
• 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	730.02
LogP ≤ 5	13.14
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-dimethyldibenzothiophen-2-yl)-9,9-dimethyl-N-(3-naphthalen-2-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-dimethyldibenzothiophen-2-yl)-9,9-dimethyl-N-(3-naphthalen-2-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 168768857) is N-(5,5-dimethyldibenzothiophen-2-yl)-9,9-dimethyl-N-(3-naphthalen-2-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-dimethyldibenzothiophen-2-yl)-9,9-dimethyl-N-(3-naphthalen-2-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-dimethyldibenzothiophen-2-yl)-9,9-dimethyl-N-(3-naphthalen-2-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)c2cc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4c(c3)-c3ccccc3S4(C)C)ccc2-c2c1ccc1c2oc2ccccc21.

What is the InChIKey of N-(5,5-dimethyldibenzothiophen-2-yl)-9,9-dimethyl-N-(3-naphthalen-2-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 XPUNTWPOYTUIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39NOSSi/c1-53(2)45-19-10-8-17-40(45)43-30-37(23-26-46(43)53)51(36-15-11-14-34(29-36)35-21-20-32-12-5-6-13-33(32)28-35)38-22-24-42-48(31-38)54(3,4)47-27-25-41-39-16-7-9-18-44(39)52-50(41)49(42)47/h5-31H,1-4H3.

What are the key properties of N-(5,5-dimethyldibenzothiophen-2-yl)-9,9-dimethyl-N-(3-naphthalen-2-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-dimethyldibenzothiophen-2-yl)-9,9-dimethyl-N-(3-naphthalen-2-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 730.02 g/mol, XLogP of 13.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,5-dimethyldibenzothiophen-2-yl)-9,9-dimethyl-N-(3-naphthalen-2-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 168768857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).