29,32-dimethyl-35,38-diaza-29,32-diazonianonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene

C38H26N4+2 — CID 153310600

IUPAC29,32-dimethyl-35,38-diaza-29,32-diazonianonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
SMILESC[n+]1c2ccc3ccc4ccc(c5ccc(cc5)c5ccc6ccc7ccc(nc7c6n5)c5ccc2cc5)[n+](C)c4c31
InChIInChI=1S/C38H26N4/c1-41-33-21-17-29-13-14-30-18-22-34(42(2)38(30)37(29)41)26-9-5-24(6-10-26)32-20-16-28-12-11-27-15-19-31(39-35(27)36(28)40-32)23-3-7-25(33)8-4-23/h3-22H,1-2H3/q+2/b31-23-,32-24-,33-25-,34-26-
InChIKeyAEGGGHFYBKTHBO-SJTBCMBCSA-N
MW538.65 g/mol
LogP7.91
Rot. Bonds

About 29,32-dimethyl-35,38-diaza-29,32-diazonianonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene

29,32-dimethyl-35,38-diaza-29,32-diazonianonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene (PubChem CID 153310600) has the molecular formula C38H26N4+2 and a molecular weight of 538.65 g/mol. Its IUPAC name is 29,32-dimethyl-35,38-diaza-29,32-diazonianonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene.

Molecular Properties

Compound Name29,32-dimethyl-35,38-diaza-29,32-diazonianonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
PubChem CID153310600
Molecular FormulaC38H26N4+2
Molecular Weight538.65 g/mol
Exact Mass538.21
IUPAC Name29,32-dimethyl-35,38-diaza-29,32-diazonianonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
SMILESC[n+]1c2ccc3ccc4ccc(c5ccc(cc5)c5ccc6ccc7ccc(nc7c6n5)c5ccc2cc5)[n+](C)c4c31
InChIInChI=1S/C38H26N4/c1-41-33-21-17-29-13-14-30-18-22-34(42(2)38(30)37(29)41)26-9-5-24(6-10-26)32-20-16-28-12-11-27-15-19-31(39-35(27)36(28)40-32)23-3-7-25(33)8-4-23/h3-22H,1-2H3/q+2/b31-23-,32-24-,33-25-,34-26-
InChIKeyAEGGGHFYBKTHBO-SJTBCMBCSA-N
XLogP7.91
TPSA33.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 29,32-dimethyl-35,38-diaza-29,32-diazonianonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene with MolForge

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31,34-Diazanonacyclo[20.8.4.22,5.26,9.210,13.214,17.218,21.025,33.028,32]tetratetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosaene
CID 153310594
29,32,35,38-Tetrazanonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
CID 153310605
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CID 146029631

Frequently Asked Questions

What is the IUPAC name of 29,32-dimethyl-35,38-diaza-29,32-diazonianonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene?
The IUPAC name of 29,32-dimethyl-35,38-diaza-29,32-diazonianonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene (CID 153310600) is 29,32-dimethyl-35,38-diaza-29,32-diazonianonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene.
What is the SMILES notation for 29,32-dimethyl-35,38-diaza-29,32-diazonianonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene?
The canonical SMILES for 29,32-dimethyl-35,38-diaza-29,32-diazonianonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene is C[n+]1c2ccc3ccc4ccc(c5ccc(cc5)c5ccc6ccc7ccc(nc7c6n5)c5ccc2cc5)[n+](C)c4c31.
What is the InChIKey of 29,32-dimethyl-35,38-diaza-29,32-diazonianonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene?
The InChIKey is AEGGGHFYBKTHBO-SJTBCMBCSA-N. The full InChI is InChI=1S/C38H26N4/c1-41-33-21-17-29-13-14-30-18-22-34(42(2)38(30)37(29)41)26-9-5-24(6-10-26)32-20-16-28-12-11-27-15-19-31(39-35(27)36(28)40-32)23-3-7-25(33)8-4-23/h3-22H,1-2H3/q+2/b31-23-,32-24-,33-25-,34-26-.
What are the key properties of 29,32-dimethyl-35,38-diaza-29,32-diazonianonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene?
29,32-dimethyl-35,38-diaza-29,32-diazonianonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene has a molecular weight of 538.65 g/mol, XLogP of 7.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 29,32-dimethyl-35,38-diaza-29,32-diazonianonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene is sourced from PubChem (CID 153310600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).