N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine

C70H44N2O3Si — CID 147235673

About N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine

N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine (PubChem CID 147235673) has the molecular formula C70H44N2O3Si and a molecular weight of 989.22 g/mol. Its IUPAC name is N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine.

Molecular Properties

• Compound Name: N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine
• PubChem CID: 147235673
• Molecular Formula: C70H44N2O3Si
• Molecular Weight: 989.22 g/mol
• Exact Mass: 988.31
• IUPAC Name: N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine
• SMILES: c1ccc(N2c3ccccc3[Si](c3ccc4c(c3)oc3ccccc34)(c3ccc4c(c3)oc3ccccc34)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1
• InChI: InChI=1S/C70H44N2O3Si/c1-2-17-47(18-3-1)72-61-24-9-13-28-69(61)76(51-35-38-59-56-21-7-11-26-64(56)74-67(59)43-51,52-36-39-60-57-22-8-12-27-65(57)75-68(60)44-52)70-40-34-49(41-62(70)72)71(50-33-37-58-55-20-6-10-25-63(55)73-66(58)42-50)48-31-29-46(30-32-48)54-23-14-16-45-15-4-5-19-53(45)54/h1-44H
• InChIKey: CJTOKKLNSGOTRF-UHFFFAOYSA-N
• XLogP: 16.84
• TPSA: 45.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	989.22
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine?

The IUPAC name of N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine (CID 147235673) is N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine.

What is the SMILES notation for N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine?

The canonical SMILES for N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine is c1ccc(N2c3ccccc3[Si](c3ccc4c(c3)oc3ccccc34)(c3ccc4c(c3)oc3ccccc34)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1.

What is the InChIKey of N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine?

The InChIKey is CJTOKKLNSGOTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N2O3Si/c1-2-17-47(18-3-1)72-61-24-9-13-28-69(61)76(51-35-38-59-56-21-7-11-26-64(56)74-67(59)43-51,52-36-39-60-57-22-8-12-27-65(57)75-68(60)44-52)70-40-34-49(41-62(70)72)71(50-33-37-58-55-20-6-10-25-63(55)73-66(58)42-50)48-31-29-46(30-32-48)54-23-14-16-45-15-4-5-19-53(45)54/h1-44H.

What are the key properties of N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine?

N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine has a molecular weight of 989.22 g/mol, XLogP of 16.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine is sourced from PubChem (CID 147235673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).