2,19-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-2,16,26-triaza-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

C50H33B2N5 — CID 165381614

About 2,19-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-2,16,26-triaza-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

2,19-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-2,16,26-triaza-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 165381614) has the molecular formula C50H33B2N5 and a molecular weight of 725.47 g/mol. Its IUPAC name is 2,19-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-2,16,26-triaza-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: 2,19-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-2,16,26-triaza-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: 165381614
• Molecular Formula: C50H33B2N5
• Molecular Weight: 725.47 g/mol
• Exact Mass: 725.29
• IUPAC Name: 2,19-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-2,16,26-triaza-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(c3cccc4cccnc34)c3cc4c5c(c32)N(c2ccncc2)c2ccccc2B5c2ccccc2N4c2ccccc2)cc1
• InChI: InChI=1S/C50H33B2N5/c1-3-17-35(18-4-1)51-38-21-7-12-26-43(38)57(44-27-13-15-34-16-14-30-54-49(34)44)46-33-45-48-50(47(46)51)56(37-28-31-53-32-29-37)42-25-11-9-23-40(42)52(48)39-22-8-10-24-41(39)55(45)36-19-5-2-6-20-36/h1-33H
• InChIKey: OTCYEEDWTUHDIA-UHFFFAOYSA-N
• XLogP: 8.01
• TPSA: 35.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.47
LogP ≤ 5	8.01
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 2,19-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-2,16,26-triaza-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 2,19-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-2,16,26-triaza-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 165381614) is 2,19-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-2,16,26-triaza-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 2,19-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-2,16,26-triaza-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 2,19-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-2,16,26-triaza-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(c3cccc4cccnc34)c3cc4c5c(c32)N(c2ccncc2)c2ccccc2B5c2ccccc2N4c2ccccc2)cc1.

What is the InChIKey of 2,19-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-2,16,26-triaza-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 OTCYEEDWTUHDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33B2N5/c1-3-17-35(18-4-1)51-38-21-7-12-26-43(38)57(44-27-13-15-34-16-14-30-54-49(34)44)46-33-45-48-50(47(46)51)56(37-28-31-53-32-29-37)42-25-11-9-23-40(42)52(48)39-22-8-10-24-41(39)55(45)36-19-5-2-6-20-36/h1-33H.

What are the key properties of 2,19-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-2,16,26-triaza-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?

2,19-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-2,16,26-triaza-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 725.47 g/mol, XLogP of 8.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,19-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-2,16,26-triaza-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 165381614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).