2,2,16,19-tetraphenyl-26-pyren-1-yl-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

C64H42B2N2Si — CID 165381435

About 2,2,16,19-tetraphenyl-26-pyren-1-yl-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

2,2,16,19-tetraphenyl-26-pyren-1-yl-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 165381435) has the molecular formula C64H42B2N2Si and a molecular weight of 888.76 g/mol. Its IUPAC name is 2,2,16,19-tetraphenyl-26-pyren-1-yl-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: 2,2,16,19-tetraphenyl-26-pyren-1-yl-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: 165381435
• Molecular Formula: C64H42B2N2Si
• Molecular Weight: 888.76 g/mol
• Exact Mass: 888.33
• IUPAC Name: 2,2,16,19-tetraphenyl-26-pyren-1-yl-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(c3ccc4ccc5cccc6ccc3c4c56)c3cc4c5c(c32)N(c2ccccc2)c2ccccc2B5c2ccccc2[Si]4(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C64H42B2N2Si/c1-5-22-46(23-6-1)65-51-30-13-17-34-56(51)68(54-41-39-45-37-36-43-20-19-21-44-38-40-50(54)61(45)60(43)44)57-42-59-63-64(62(57)65)67(47-24-7-2-8-25-47)55-33-16-14-31-52(55)66(63)53-32-15-18-35-58(53)69(59,48-26-9-3-10-27-48)49-28-11-4-12-29-49/h1-42H
• InChIKey: UZVXXEWEKPMKQQ-UHFFFAOYSA-N
• XLogP: 8.87
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.76
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2,16,19-tetraphenyl-26-pyren-1-yl-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 2,2,16,19-tetraphenyl-26-pyren-1-yl-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 165381435) is 2,2,16,19-tetraphenyl-26-pyren-1-yl-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 2,2,16,19-tetraphenyl-26-pyren-1-yl-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 2,2,16,19-tetraphenyl-26-pyren-1-yl-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(c3ccc4ccc5cccc6ccc3c4c56)c3cc4c5c(c32)N(c2ccccc2)c2ccccc2B5c2ccccc2[Si]4(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2,2,16,19-tetraphenyl-26-pyren-1-yl-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 UZVXXEWEKPMKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42B2N2Si/c1-5-22-46(23-6-1)65-51-30-13-17-34-56(51)68(54-41-39-45-37-36-43-20-19-21-44-38-40-50(54)61(45)60(43)44)57-42-59-63-64(62(57)65)67(47-24-7-2-8-25-47)55-33-16-14-31-52(55)66(63)53-32-15-18-35-58(53)69(59,48-26-9-3-10-27-48)49-28-11-4-12-29-49/h1-42H.

What are the key properties of 2,2,16,19-tetraphenyl-26-pyren-1-yl-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?

2,2,16,19-tetraphenyl-26-pyren-1-yl-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 888.76 g/mol, XLogP of 8.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,16,19-tetraphenyl-26-pyren-1-yl-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 165381435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).