1,9,17,25-tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene

C29H20N4+4 — CID 20756022

IUPAC1,9,17,25-tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
SMILESC1=c2ccccc2=[N+]2C=c3ccccc3=[N+]3C=c4ccccc4=[N+]4C=c5ccccc5=[N+]1C243
InChIInChI=1S/C29H20N4/c1-5-13-25-21(9-1)17-30-26-14-6-2-11-23(26)19-32-28-16-8-4-12-24(28)20-33-27-15-7-3-10-22(27)18-31(25)29(30,32)33/h1-20H/q+4
InChIKeyUIFSNRSNEXFKKJ-UHFFFAOYSA-N
MW424.51 g/mol
LogP-2.63
Rot. Bonds

About 1,9,17,25-tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene

1,9,17,25-tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene (PubChem CID 20756022) has the molecular formula C29H20N4+4 and a molecular weight of 424.51 g/mol. Its IUPAC name is 1,9,17,25-tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene.

Molecular Properties

Compound Name1,9,17,25-tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
PubChem CID20756022
Molecular FormulaC29H20N4+4
Molecular Weight424.51 g/mol
Exact Mass424.17
IUPAC Name1,9,17,25-tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
SMILESC1=c2ccccc2=[N+]2C=c3ccccc3=[N+]3C=c4ccccc4=[N+]4C=c5ccccc5=[N+]1C243
InChIInChI=1S/C29H20N4/c1-5-13-25-21(9-1)17-30-26-14-6-2-11-23(26)19-32-28-16-8-4-12-24(28)20-33-27-15-7-3-10-22(27)18-31(25)29(30,32)33/h1-20H/q+4
InChIKeyUIFSNRSNEXFKKJ-UHFFFAOYSA-N
XLogP-2.63
TPSA12.04 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 5-2.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,9,17,25-tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene with MolForge

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Related Compounds

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1,9,17-Triazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
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Frequently Asked Questions

What is the IUPAC name of 1,9,17,25-tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene?
The IUPAC name of 1,9,17,25-tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene (CID 20756022) is 1,9,17,25-tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene.
What is the SMILES notation for 1,9,17,25-tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene?
The canonical SMILES for 1,9,17,25-tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene is C1=c2ccccc2=[N+]2C=c3ccccc3=[N+]3C=c4ccccc4=[N+]4C=c5ccccc5=[N+]1C243.
What is the InChIKey of 1,9,17,25-tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene?
The InChIKey is UIFSNRSNEXFKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4/c1-5-13-25-21(9-1)17-30-26-14-6-2-11-23(26)19-32-28-16-8-4-12-24(28)20-33-27-15-7-3-10-22(27)18-31(25)29(30,32)33/h1-20H/q+4.
What are the key properties of 1,9,17,25-tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene?
1,9,17,25-tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene has a molecular weight of 424.51 g/mol, XLogP of -2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9,17,25-tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene is sourced from PubChem (CID 20756022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).