6-phenyl-26-(3-phenylbenzo[h]quinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene

C48H28N4 — CID 163780942

About 6-phenyl-26-(3-phenylbenzo[h]quinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene

6-phenyl-26-(3-phenylbenzo[h]quinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene (PubChem CID 163780942) has the molecular formula C48H28N4 and a molecular weight of 660.78 g/mol. Its IUPAC name is 6-phenyl-26-(3-phenylbenzo[h]quinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 6-phenyl-26-(3-phenylbenzo[h]quinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
• PubChem CID: 163780942
• Molecular Formula: C48H28N4
• Molecular Weight: 660.78 g/mol
• Exact Mass: 660.23
• IUPAC Name: 6-phenyl-26-(3-phenylbenzo[h]quinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
• SMILES: c1ccc(-c2nc3ccc4ccccc4c3nc2-n2c3ccc(-c4ccccc4)c4c5ccccc5n5c6ccccc6c6ccc2c(c43)c65)cc1
• InChI: InChI=1S/C48H28N4/c1-3-13-29(14-4-1)32-24-27-40-43-42(32)36-20-10-12-22-39(36)51-38-21-11-9-19-34(38)35-25-28-41(44(43)47(35)51)52(40)48-45(31-16-5-2-6-17-31)49-37-26-23-30-15-7-8-18-33(30)46(37)50-48/h1-28H
• InChIKey: MONQJYXPVPNLSO-UHFFFAOYSA-N
• XLogP: 12.36
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.78
LogP ≤ 5	12.36
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 6-phenyl-26-(3-phenylbenzo[h]quinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?

The IUPAC name of 6-phenyl-26-(3-phenylbenzo[h]quinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene (CID 163780942) is 6-phenyl-26-(3-phenylbenzo[h]quinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene.

What is the SMILES notation for 6-phenyl-26-(3-phenylbenzo[h]quinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?

The canonical SMILES for 6-phenyl-26-(3-phenylbenzo[h]quinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene is c1ccc(-c2nc3ccc4ccccc4c3nc2-n2c3ccc(-c4ccccc4)c4c5ccccc5n5c6ccccc6c6ccc2c(c43)c65)cc1.

What is the InChIKey of 6-phenyl-26-(3-phenylbenzo[h]quinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?

The InChIKey is MONQJYXPVPNLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4/c1-3-13-29(14-4-1)32-24-27-40-43-42(32)36-20-10-12-22-39(36)51-38-21-11-9-19-34(38)35-25-28-41(44(43)47(35)51)52(40)48-45(31-16-5-2-6-17-31)49-37-26-23-30-15-7-8-18-33(30)46(37)50-48/h1-28H.

What are the key properties of 6-phenyl-26-(3-phenylbenzo[h]quinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?

6-phenyl-26-(3-phenylbenzo[h]quinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene has a molecular weight of 660.78 g/mol, XLogP of 12.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-26-(3-phenylbenzo[h]quinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 163780942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).