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

C72H49NOSi — CID 148623158

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

N-naphthalen-1-yl-5,5-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2'-amine (PubChem CID 148623158) has the molecular formula C72H49NOSi and a molecular weight of 972.28 g/mol. Its IUPAC name is N-naphthalen-1-yl-5,5-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2'-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-5,5-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2'-amine
• PubChem CID: 148623158
• Molecular Formula: C72H49NOSi
• Molecular Weight: 972.28 g/mol
• Exact Mass: 971.36
• IUPAC Name: N-naphthalen-1-yl-5,5-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2'-amine
• SMILES: c1ccc(C2(c3ccc(N(c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)c4cccc5ccccc45)cc3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C72H49NOSi/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)73(66-39-22-24-50-23-10-11-31-57(50)66)54-47-48-68-65(49-54)72(62-36-16-19-40-67(62)74-68)63-37-17-20-41-69(63)75(55-27-6-2-7-28-55,56-29-8-3-9-30-56)70-42-21-18-38-64(70)72/h1-49H
• InChIKey: NGRKMSGNVRUNKC-UHFFFAOYSA-N
• XLogP: 14.85
• 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	972.28
LogP ≤ 5	14.85
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]benzosiline-10,9'-xanthene]-2'-amine?

The IUPAC name of N-naphthalen-1-yl-5,5-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2'-amine (CID 148623158) is N-naphthalen-1-yl-5,5-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1]benzosiline-10,9'-xanthene]-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]benzosiline-10,9'-xanthene]-2'-amine?

The canonical SMILES for N-naphthalen-1-yl-5,5-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2'-amine is c1ccc(C2(c3ccc(N(c4ccc5c(c4)C4(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]benzosiline-10,9'-xanthene]-2'-amine?

The InChIKey is NGRKMSGNVRUNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49NOSi/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)73(66-39-22-24-50-23-10-11-31-57(50)66)54-47-48-68-65(49-54)72(62-36-16-19-40-67(62)74-68)63-37-17-20-41-69(63)75(55-27-6-2-7-28-55,56-29-8-3-9-30-56)70-42-21-18-38-64(70)72/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]benzosiline-10,9'-xanthene]-2'-amine?

N-naphthalen-1-yl-5,5-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2'-amine has a molecular weight of 972.28 g/mol, XLogP of 14.85, 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]benzosiline-10,9'-xanthene]-2'-amine is sourced from PubChem (CID 148623158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).