26-naphthalen-1-yl-2,2,16,19-tetraphenyl-16,26-diaza-2-sila-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene

C58H40B2N2Si — CID 165381464

About 26-naphthalen-1-yl-2,2,16,19-tetraphenyl-16,26-diaza-2-sila-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene

26-naphthalen-1-yl-2,2,16,19-tetraphenyl-16,26-diaza-2-sila-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene (PubChem CID 165381464) has the molecular formula C58H40B2N2Si and a molecular weight of 814.68 g/mol. Its IUPAC name is 26-naphthalen-1-yl-2,2,16,19-tetraphenyl-16,26-diaza-2-sila-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene.

Molecular Properties

• Compound Name: 26-naphthalen-1-yl-2,2,16,19-tetraphenyl-16,26-diaza-2-sila-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene
• PubChem CID: 165381464
• Molecular Formula: C58H40B2N2Si
• Molecular Weight: 814.68 g/mol
• Exact Mass: 814.31
• IUPAC Name: 26-naphthalen-1-yl-2,2,16,19-tetraphenyl-16,26-diaza-2-sila-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene
• SMILES: c1ccc(B2c3ccccc3N(c3cccc4ccccc34)c3cc4c5c(c32)N(c2ccccc2)c2ccccc2B5c2ccccc2[Si]4(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C58H40B2N2Si/c1-5-24-42(25-6-1)59-47-33-15-19-37-52(47)62(50-38-21-23-41-22-13-14-32-46(41)50)53-40-55-57-58(56(53)59)61(43-26-7-2-8-27-43)51-36-18-16-34-48(51)60(57)49-35-17-20-39-54(49)63(55,44-28-9-3-10-29-44)45-30-11-4-12-31-45/h1-40H
• InChIKey: JDXALIULYCTYBA-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.68
LogP ≤ 5	7.13
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 26-naphthalen-1-yl-2,2,16,19-tetraphenyl-16,26-diaza-2-sila-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene?

The IUPAC name of 26-naphthalen-1-yl-2,2,16,19-tetraphenyl-16,26-diaza-2-sila-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene (CID 165381464) is 26-naphthalen-1-yl-2,2,16,19-tetraphenyl-16,26-diaza-2-sila-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene.

What is the SMILES notation for 26-naphthalen-1-yl-2,2,16,19-tetraphenyl-16,26-diaza-2-sila-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene?

The canonical SMILES for 26-naphthalen-1-yl-2,2,16,19-tetraphenyl-16,26-diaza-2-sila-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene is c1ccc(B2c3ccccc3N(c3cccc4ccccc34)c3cc4c5c(c32)N(c2ccccc2)c2ccccc2B5c2ccccc2[Si]4(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 26-naphthalen-1-yl-2,2,16,19-tetraphenyl-16,26-diaza-2-sila-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene?

The InChIKey is JDXALIULYCTYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40B2N2Si/c1-5-24-42(25-6-1)59-47-33-15-19-37-52(47)62(50-38-21-23-41-22-13-14-32-46(41)50)53-40-55-57-58(56(53)59)61(43-26-7-2-8-27-43)51-36-18-16-34-48(51)60(57)49-35-17-20-39-54(49)63(55,44-28-9-3-10-29-44)45-30-11-4-12-31-45/h1-40H.

What are the key properties of 26-naphthalen-1-yl-2,2,16,19-tetraphenyl-16,26-diaza-2-sila-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene?

26-naphthalen-1-yl-2,2,16,19-tetraphenyl-16,26-diaza-2-sila-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene has a molecular weight of 814.68 g/mol, XLogP of 7.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 26-naphthalen-1-yl-2,2,16,19-tetraphenyl-16,26-diaza-2-sila-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene is sourced from PubChem (CID 165381464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).