26-naphthalen-1-yl-2,16-diphenyl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[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

C46H30B2N2O — CID 165381449

About 26-naphthalen-1-yl-2,16-diphenyl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[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

26-naphthalen-1-yl-2,16-diphenyl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[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 165381449) has the molecular formula C46H30B2N2O and a molecular weight of 648.38 g/mol. Its IUPAC name is 26-naphthalen-1-yl-2,16-diphenyl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[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: 26-naphthalen-1-yl-2,16-diphenyl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[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: 165381449
• Molecular Formula: C46H30B2N2O
• Molecular Weight: 648.38 g/mol
• Exact Mass: 648.25
• IUPAC Name: 26-naphthalen-1-yl-2,16-diphenyl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[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)c4c5c(cc2c43)N(c2cccc3ccccc23)c2ccccc2O5)cc1
• InChI: InChI=1S/C46H30B2N2O/c1-3-18-32(19-4-1)47-35-23-9-10-24-36(35)48-37-25-11-12-26-40(37)49(33-20-5-2-6-21-33)45-44(48)38(47)30-42-46(45)51-43-29-14-13-27-41(43)50(42)39-28-15-17-31-16-7-8-22-34(31)39/h1-30H
• InChIKey: ZADAWXMORAVJGL-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.38
LogP ≤ 5	7.54
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 26-naphthalen-1-yl-2,16-diphenyl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[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 26-naphthalen-1-yl-2,16-diphenyl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[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 165381449) is 26-naphthalen-1-yl-2,16-diphenyl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[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 26-naphthalen-1-yl-2,16-diphenyl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[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 26-naphthalen-1-yl-2,16-diphenyl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[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)c4c5c(cc2c43)N(c2cccc3ccccc23)c2ccccc2O5)cc1.

What is the InChIKey of 26-naphthalen-1-yl-2,16-diphenyl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[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 ZADAWXMORAVJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30B2N2O/c1-3-18-32(19-4-1)47-35-23-9-10-24-36(35)48-37-25-11-12-26-40(37)49(33-20-5-2-6-21-33)45-44(48)38(47)30-42-46(45)51-43-29-14-13-27-41(43)50(42)39-28-15-17-31-16-7-8-22-34(31)39/h1-30H.

What are the key properties of 26-naphthalen-1-yl-2,16-diphenyl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[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?

26-naphthalen-1-yl-2,16-diphenyl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[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 648.38 g/mol, XLogP of 7.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 26-naphthalen-1-yl-2,16-diphenyl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[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 165381449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).