N-naphthalen-1-yl-5',5'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-amine

C71H49NOSi2 — CID 147268027

About N-naphthalen-1-yl-5',5'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-amine

N-naphthalen-1-yl-5',5'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-amine (PubChem CID 147268027) has the molecular formula C71H49NOSi2 and a molecular weight of 988.35 g/mol. Its IUPAC name is N-naphthalen-1-yl-5',5'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-5',5'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-amine
• PubChem CID: 147268027
• Molecular Formula: C71H49NOSi2
• Molecular Weight: 988.35 g/mol
• Exact Mass: 987.34
• IUPAC Name: N-naphthalen-1-yl-5',5'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-amine
• SMILES: c1ccc(C2(c3ccc(N(c4ccc5c(c4)[Si]4(c6ccccc6O5)c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)c4cccc5ccccc45)cc3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C71H49NOSi2/c1-4-25-51(26-5-1)71(60-34-14-12-32-58(60)59-33-13-15-35-61(59)71)52-43-45-53(46-44-52)72(62-36-22-24-50-23-10-11-31-57(50)62)54-47-48-64-70(49-54)75(65-38-17-16-37-63(65)73-64)68-41-20-18-39-66(68)74(55-27-6-2-7-28-55,56-29-8-3-9-30-56)67-40-19-21-42-69(67)75/h1-49H
• InChIKey: CPWHVMMUYIDQQG-UHFFFAOYSA-N
• XLogP: 11.85
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	988.35
LogP ≤ 5	11.85
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-naphthalen-1-yl-5',5'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-amine?

The IUPAC name of N-naphthalen-1-yl-5',5'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-amine (CID 147268027) is N-naphthalen-1-yl-5',5'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-amine.

What is the SMILES notation for N-naphthalen-1-yl-5',5'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-amine?

The canonical SMILES for N-naphthalen-1-yl-5',5'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-amine is c1ccc(C2(c3ccc(N(c4ccc5c(c4)[Si]4(c6ccccc6O5)c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)c4cccc5ccccc45)cc3)c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of N-naphthalen-1-yl-5',5'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-amine?

The InChIKey is CPWHVMMUYIDQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H49NOSi2/c1-4-25-51(26-5-1)71(60-34-14-12-32-58(60)59-33-13-15-35-61(59)71)52-43-45-53(46-44-52)72(62-36-22-24-50-23-10-11-31-57(50)62)54-47-48-64-70(49-54)75(65-38-17-16-37-63(65)73-64)68-41-20-18-39-66(68)74(55-27-6-2-7-28-55,56-29-8-3-9-30-56)67-40-19-21-42-69(67)75/h1-49H.

What are the key properties of N-naphthalen-1-yl-5',5'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-amine?

N-naphthalen-1-yl-5',5'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-amine has a molecular weight of 988.35 g/mol, XLogP of 11.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-5',5'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-amine is sourced from PubChem (CID 147268027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).