15-(3-naphthalen-1-ylbenzo[h]quinoxalin-2-yl)-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene

C48H26N4 — CID 162770281

About 15-(3-naphthalen-1-ylbenzo[h]quinoxalin-2-yl)-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene

15-(3-naphthalen-1-ylbenzo[h]quinoxalin-2-yl)-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene (PubChem CID 162770281) has the molecular formula C48H26N4 and a molecular weight of 658.76 g/mol. Its IUPAC name is 15-(3-naphthalen-1-ylbenzo[h]quinoxalin-2-yl)-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene.

Molecular Properties

• Compound Name: 15-(3-naphthalen-1-ylbenzo[h]quinoxalin-2-yl)-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene
• PubChem CID: 162770281
• Molecular Formula: C48H26N4
• Molecular Weight: 658.76 g/mol
• Exact Mass: 658.22
• IUPAC Name: 15-(3-naphthalen-1-ylbenzo[h]quinoxalin-2-yl)-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene
• SMILES: c1ccc2c(-c3nc4ccc5ccccc5c4nc3-n3c4ccc5ccc6cccc7c6c5c4c4c3ccc3c5ccccc5n7c34)cccc2c1
• InChI: InChI=1S/C48H26N4/c1-3-13-31-27(9-1)11-7-16-34(31)46-48(50-45-32-14-4-2-10-28(32)21-24-36(45)49-46)52-39-25-22-30-20-19-29-12-8-18-38-41(29)42(30)43(39)44-40(52)26-23-35-33-15-5-6-17-37(33)51(38)47(35)44/h1-26H
• InChIKey: KETKIJIYPRYCAQ-UHFFFAOYSA-N
• XLogP: 12.44
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.76
LogP ≤ 5	12.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-(3-naphthalen-1-ylbenzo[h]quinoxalin-2-yl)-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene?

The IUPAC name of 15-(3-naphthalen-1-ylbenzo[h]quinoxalin-2-yl)-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene (CID 162770281) is 15-(3-naphthalen-1-ylbenzo[h]quinoxalin-2-yl)-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene.

What is the SMILES notation for 15-(3-naphthalen-1-ylbenzo[h]quinoxalin-2-yl)-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene?

The canonical SMILES for 15-(3-naphthalen-1-ylbenzo[h]quinoxalin-2-yl)-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene is c1ccc2c(-c3nc4ccc5ccccc5c4nc3-n3c4ccc5ccc6cccc7c6c5c4c4c3ccc3c5ccccc5n7c34)cccc2c1.

What is the InChIKey of 15-(3-naphthalen-1-ylbenzo[h]quinoxalin-2-yl)-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene?

The InChIKey is KETKIJIYPRYCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H26N4/c1-3-13-31-27(9-1)11-7-16-34(31)46-48(50-45-32-14-4-2-10-28(32)21-24-36(45)49-46)52-39-25-22-30-20-19-29-12-8-18-38-41(29)42(30)43(39)44-40(52)26-23-35-33-15-5-6-17-37(33)51(38)47(35)44/h1-26H.

What are the key properties of 15-(3-naphthalen-1-ylbenzo[h]quinoxalin-2-yl)-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene?

15-(3-naphthalen-1-ylbenzo[h]quinoxalin-2-yl)-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene has a molecular weight of 658.76 g/mol, XLogP of 12.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(3-naphthalen-1-ylbenzo[h]quinoxalin-2-yl)-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene is sourced from PubChem (CID 162770281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).