32-naphthalen-2-yl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene

C43H25N5+2 — CID 158998415

About 32-naphthalen-2-yl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene

32-naphthalen-2-yl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene (PubChem CID 158998415) has the molecular formula C43H25N5+2 and a molecular weight of 611.71 g/mol. Its IUPAC name is 32-naphthalen-2-yl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene.

Molecular Properties

• Compound Name: 32-naphthalen-2-yl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene
• PubChem CID: 158998415
• Molecular Formula: C43H25N5+2
• Molecular Weight: 611.71 g/mol
• Exact Mass: 611.21
• IUPAC Name: 32-naphthalen-2-yl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene
• SMILES: c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(ccc4c5ccccc5n-2c34)-n2cc(-c3ccc4ccccc4c3)c[n+]21
• InChI: InChI=1S/C43H25N5/c1-2-10-27-23-28(19-18-26(27)9-1)29-24-45-36-21-20-32-30-11-3-5-14-34(30)47-37-16-7-17-38-39(37)43(46(45)25-29,40(36)41(32)47)44-22-8-13-33-31-12-4-6-15-35(31)48(38)42(33)44/h1-25H/q+2
• InChIKey: MKVORZQCPRTGJF-UHFFFAOYSA-N
• XLogP: 8.30
• TPSA: 22.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.71
LogP ≤ 5	8.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 32-naphthalen-2-yl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene?

The IUPAC name of 32-naphthalen-2-yl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene (CID 158998415) is 32-naphthalen-2-yl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene.

What is the SMILES notation for 32-naphthalen-2-yl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene?

The canonical SMILES for 32-naphthalen-2-yl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene is c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(ccc4c5ccccc5n-2c34)-n2cc(-c3ccc4ccccc4c3)c[n+]21.

What is the InChIKey of 32-naphthalen-2-yl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene?

The InChIKey is MKVORZQCPRTGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N5/c1-2-10-27-23-28(19-18-26(27)9-1)29-24-45-36-21-20-32-30-11-3-5-14-34(30)47-37-16-7-17-38-39(37)43(46(45)25-29,40(36)41(32)47)44-22-8-13-33-31-12-4-6-15-35(31)48(38)42(33)44/h1-25H/q+2.

What are the key properties of 32-naphthalen-2-yl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene?

32-naphthalen-2-yl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene has a molecular weight of 611.71 g/mol, XLogP of 8.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 32-naphthalen-2-yl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene is sourced from PubChem (CID 158998415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).