25-oxa-14,44-diaza-2,4-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene

C47H24N4O+2 — CID 158922742

About 25-oxa-14,44-diaza-2,4-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene

25-oxa-14,44-diaza-2,4-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene (PubChem CID 158922742) has the molecular formula C47H24N4O+2 and a molecular weight of 660.74 g/mol. Its IUPAC name is 25-oxa-14,44-diaza-2,4-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene.

Molecular Properties

• Compound Name: 25-oxa-14,44-diaza-2,4-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene
• PubChem CID: 158922742
• Molecular Formula: C47H24N4O+2
• Molecular Weight: 660.74 g/mol
• Exact Mass: 660.19
• IUPAC Name: 25-oxa-14,44-diaza-2,4-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene
• SMILES: c1ccc2c(c1)c1c3c4c(ccc5[n+]4C14c1c6ccccc6n6c1c1c(ccc([n+]14)O5)c1c4ccccc4c4ccccc4c16)c1ccccc1n23
• InChI: InChI=1S/C47H24N4O/c1-3-14-28-25(11-1)26-12-2-4-15-29(26)42-39(28)33-22-24-38-51-44(33)46-41(32-17-7-10-20-36(32)49(42)46)47(51)40-31-16-6-9-19-35(31)48-34-18-8-5-13-27(34)30-21-23-37(52-38)50(47)43(30)45(40)48/h1-24H/q+2
• InChIKey: QWIUITOBBAUIFR-UHFFFAOYSA-N
• XLogP: 10.02
• TPSA: 25.81 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.74
LogP ≤ 5	10.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 25-oxa-14,44-diaza-2,4-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene?

The IUPAC name of 25-oxa-14,44-diaza-2,4-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene (CID 158922742) is 25-oxa-14,44-diaza-2,4-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene.

What is the SMILES notation for 25-oxa-14,44-diaza-2,4-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene?

The canonical SMILES for 25-oxa-14,44-diaza-2,4-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene is c1ccc2c(c1)c1c3c4c(ccc5[n+]4C14c1c6ccccc6n6c1c1c(ccc([n+]14)O5)c1c4ccccc4c4ccccc4c16)c1ccccc1n23.

What is the InChIKey of 25-oxa-14,44-diaza-2,4-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene?

The InChIKey is QWIUITOBBAUIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H24N4O/c1-3-14-28-25(11-1)26-12-2-4-15-29(26)42-39(28)33-22-24-38-51-44(33)46-41(32-17-7-10-20-36(32)49(42)46)47(51)40-31-16-6-9-19-35(31)48-34-18-8-5-13-27(34)30-21-23-37(52-38)50(47)43(30)45(40)48/h1-24H/q+2.

What are the key properties of 25-oxa-14,44-diaza-2,4-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene?

25-oxa-14,44-diaza-2,4-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene has a molecular weight of 660.74 g/mol, XLogP of 10.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 25-oxa-14,44-diaza-2,4-diazoniapentadecacyclo[27.23.0.02,26.03,7.03,51.04,24.05,21.06,14.08,13.015,20.030,43.031,36.037,42.044,52.045,50]dopentaconta-1(29),2(26),4(24),5(21),6,8,10,12,15,17,19,22,27,30(43),31,33,35,37,39,41,45,47,49,51-tetracosaene is sourced from PubChem (CID 158922742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).