N-naphthalen-1-yl-5,6,11,11-tetraphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[2,3-b][1,4]benzazasilin-3-amine

C66H45N3OSi — CID 153449168

About N-naphthalen-1-yl-5,6,11,11-tetraphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[2,3-b][1,4]benzazasilin-3-amine

N-naphthalen-1-yl-5,6,11,11-tetraphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[2,3-b][1,4]benzazasilin-3-amine (PubChem CID 153449168) has the molecular formula C66H45N3OSi and a molecular weight of 924.19 g/mol. Its IUPAC name is N-naphthalen-1-yl-5,6,11,11-tetraphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[2,3-b][1,4]benzazasilin-3-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-5,6,11,11-tetraphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[2,3-b][1,4]benzazasilin-3-amine
• PubChem CID: 153449168
• Molecular Formula: C66H45N3OSi
• Molecular Weight: 924.19 g/mol
• Exact Mass: 923.33
• IUPAC Name: N-naphthalen-1-yl-5,6,11,11-tetraphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[2,3-b][1,4]benzazasilin-3-amine
• SMILES: c1ccc(-c2ccc3c(c2)oc2cc(N(c4ccc5c(c4)N(c4ccccc4)c4c(c6ccccc6n4-c4ccccc4)[Si]5(c4ccccc4)c4ccccc4)c4cccc5ccccc45)ccc23)cc1
• InChI: InChI=1S/C66H45N3OSi/c1-6-21-46(22-7-1)48-37-40-56-57-41-38-52(45-63(57)70-62(56)43-48)67(59-36-20-24-47-23-16-17-33-55(47)59)51-39-42-64-61(44-51)69(50-27-10-3-11-28-50)66-65(58-34-18-19-35-60(58)68(66)49-25-8-2-9-26-49)71(64,53-29-12-4-13-30-53)54-31-14-5-15-32-54/h1-45H
• InChIKey: KOJXMUNAOIREAO-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 24.55 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.19
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-5,6,11,11-tetraphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[2,3-b][1,4]benzazasilin-3-amine?

The IUPAC name of N-naphthalen-1-yl-5,6,11,11-tetraphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[2,3-b][1,4]benzazasilin-3-amine (CID 153449168) is N-naphthalen-1-yl-5,6,11,11-tetraphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[2,3-b][1,4]benzazasilin-3-amine.

What is the SMILES notation for N-naphthalen-1-yl-5,6,11,11-tetraphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[2,3-b][1,4]benzazasilin-3-amine?

The canonical SMILES for N-naphthalen-1-yl-5,6,11,11-tetraphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[2,3-b][1,4]benzazasilin-3-amine is c1ccc(-c2ccc3c(c2)oc2cc(N(c4ccc5c(c4)N(c4ccccc4)c4c(c6ccccc6n4-c4ccccc4)[Si]5(c4ccccc4)c4ccccc4)c4cccc5ccccc45)ccc23)cc1.

What is the InChIKey of N-naphthalen-1-yl-5,6,11,11-tetraphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[2,3-b][1,4]benzazasilin-3-amine?

The InChIKey is KOJXMUNAOIREAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3OSi/c1-6-21-46(22-7-1)48-37-40-56-57-41-38-52(45-63(57)70-62(56)43-48)67(59-36-20-24-47-23-16-17-33-55(47)59)51-39-42-64-61(44-51)69(50-27-10-3-11-28-50)66-65(58-34-18-19-35-60(58)68(66)49-25-8-2-9-26-49)71(64,53-29-12-4-13-30-53)54-31-14-5-15-32-54/h1-45H.

What are the key properties of N-naphthalen-1-yl-5,6,11,11-tetraphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[2,3-b][1,4]benzazasilin-3-amine?

N-naphthalen-1-yl-5,6,11,11-tetraphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[2,3-b][1,4]benzazasilin-3-amine has a molecular weight of 924.19 g/mol, XLogP of 14.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-5,6,11,11-tetraphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[2,3-b][1,4]benzazasilin-3-amine is sourced from PubChem (CID 153449168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).