2,16,19-triphenyl-26-quinolin-8-yl-16,26-diaza-2,9,19-triboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene

C51H34B3N3 — CID 165381788

About 2,16,19-triphenyl-26-quinolin-8-yl-16,26-diaza-2,9,19-triboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene

2,16,19-triphenyl-26-quinolin-8-yl-16,26-diaza-2,9,19-triboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene (PubChem CID 165381788) has the molecular formula C51H34B3N3 and a molecular weight of 721.29 g/mol. Its IUPAC name is 2,16,19-triphenyl-26-quinolin-8-yl-16,26-diaza-2,9,19-triboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene.

Molecular Properties

• Compound Name: 2,16,19-triphenyl-26-quinolin-8-yl-16,26-diaza-2,9,19-triboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
• PubChem CID: 165381788
• Molecular Formula: C51H34B3N3
• Molecular Weight: 721.29 g/mol
• Exact Mass: 721.30
• IUPAC Name: 2,16,19-triphenyl-26-quinolin-8-yl-16,26-diaza-2,9,19-triboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
• SMILES: c1ccc(B2c3ccccc3B3c4ccccc4N(c4ccccc4)c4c3c2cc2c4B(c3ccccc3)c3ccccc3N2c2cccc3cccnc23)cc1
• InChI: InChI=1S/C51H34B3N3/c1-4-20-36(21-5-1)52-39-26-10-11-27-40(39)54-42-29-13-14-30-44(42)56(38-24-8-3-9-25-38)51-48(54)43(52)34-47-49(51)53(37-22-6-2-7-23-37)41-28-12-15-31-45(41)57(47)46-32-16-18-35-19-17-33-55-50(35)46/h1-34H
• InChIKey: ZTOVHFJQGRNBKX-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 19.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.29
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,16,19-triphenyl-26-quinolin-8-yl-16,26-diaza-2,9,19-triboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?

The IUPAC name of 2,16,19-triphenyl-26-quinolin-8-yl-16,26-diaza-2,9,19-triboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene (CID 165381788) is 2,16,19-triphenyl-26-quinolin-8-yl-16,26-diaza-2,9,19-triboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene.

What is the SMILES notation for 2,16,19-triphenyl-26-quinolin-8-yl-16,26-diaza-2,9,19-triboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?

The canonical SMILES for 2,16,19-triphenyl-26-quinolin-8-yl-16,26-diaza-2,9,19-triboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene is c1ccc(B2c3ccccc3B3c4ccccc4N(c4ccccc4)c4c3c2cc2c4B(c3ccccc3)c3ccccc3N2c2cccc3cccnc23)cc1.

What is the InChIKey of 2,16,19-triphenyl-26-quinolin-8-yl-16,26-diaza-2,9,19-triboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?

The InChIKey is ZTOVHFJQGRNBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34B3N3/c1-4-20-36(21-5-1)52-39-26-10-11-27-40(39)54-42-29-13-14-30-44(42)56(38-24-8-3-9-25-38)51-48(54)43(52)34-47-49(51)53(37-22-6-2-7-23-37)41-28-12-15-31-45(41)57(47)46-32-16-18-35-19-17-33-55-50(35)46/h1-34H.

What are the key properties of 2,16,19-triphenyl-26-quinolin-8-yl-16,26-diaza-2,9,19-triboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?

2,16,19-triphenyl-26-quinolin-8-yl-16,26-diaza-2,9,19-triboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene has a molecular weight of 721.29 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,16,19-triphenyl-26-quinolin-8-yl-16,26-diaza-2,9,19-triboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene is sourced from PubChem (CID 165381788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).