24,27,29,34-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(26),22,24,28(33),29,31,34-hexadecaene

C31H18N4 — CID 160766598

About 24,27,29,34-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(26),22,24,28(33),29,31,34-hexadecaene

24,27,29,34-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(26),22,24,28(33),29,31,34-hexadecaene (PubChem CID 160766598) has the molecular formula C31H18N4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 24,27,29,34-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(26),22,24,28(33),29,31,34-hexadecaene.

Molecular Properties

• Compound Name: 24,27,29,34-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(26),22,24,28(33),29,31,34-hexadecaene
• PubChem CID: 160766598
• Molecular Formula: C31H18N4
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.15
• IUPAC Name: 24,27,29,34-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(26),22,24,28(33),29,31,34-hexadecaene
• SMILES: c1ccc2c(c1)Cc1ccc3c(c1-2)-c1cc2c(cc1C3)c1ccncc1n1c3ncccc3nc21
• InChI: InChI=1S/C31H18N4/c1-2-5-21-17(4-1)12-18-7-8-19-13-20-14-24-22-9-11-32-16-27(22)35-30(34-26-6-3-10-33-31(26)35)25(24)15-23(20)29(19)28(18)21/h1-11,14-16H,12-13H2
• InChIKey: KQWHHZJWNTVLIX-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 43.08 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	6.73
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 24,27,29,34-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(26),22,24,28(33),29,31,34-hexadecaene?

The IUPAC name of 24,27,29,34-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(26),22,24,28(33),29,31,34-hexadecaene (CID 160766598) is 24,27,29,34-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(26),22,24,28(33),29,31,34-hexadecaene.

What is the SMILES notation for 24,27,29,34-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(26),22,24,28(33),29,31,34-hexadecaene?

The canonical SMILES for 24,27,29,34-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(26),22,24,28(33),29,31,34-hexadecaene is c1ccc2c(c1)Cc1ccc3c(c1-2)-c1cc2c(cc1C3)c1ccncc1n1c3ncccc3nc21.

What is the InChIKey of 24,27,29,34-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(26),22,24,28(33),29,31,34-hexadecaene?

The InChIKey is KQWHHZJWNTVLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N4/c1-2-5-21-17(4-1)12-18-7-8-19-13-20-14-24-22-9-11-32-16-27(22)35-30(34-26-6-3-10-33-31(26)35)25(24)15-23(20)29(19)28(18)21/h1-11,14-16H,12-13H2.

What are the key properties of 24,27,29,34-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(26),22,24,28(33),29,31,34-hexadecaene?

24,27,29,34-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(26),22,24,28(33),29,31,34-hexadecaene has a molecular weight of 446.51 g/mol, XLogP of 6.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 24,27,29,34-tetrazanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(26),22,24,28(33),29,31,34-hexadecaene is sourced from PubChem (CID 160766598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).