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

C36H20N4 — CID 153310605

IUPAC29,32,35,38-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
SMILESc1cc2ccc1c1ccc3ccc4ccc(nc4c3n1)c1ccc(cc1)c1ccc3ccc4ccc2nc4c3n1
InChIInChI=1S/C36H20N4/c1-2-22-4-3-21(1)29-17-13-25-9-10-27-15-19-31(39-34(27)33(25)37-29)23-5-7-24(8-6-23)32-20-16-28-12-11-26-14-18-30(22)38-35(26)36(28)40-32/h1-20H/b29-21-,30-22-,31-23-,32-24-
InChIKeyHJJKPTLZOCKHGS-ZKJAMNBOSA-N
MW508.58 g/mol
LogP9.05
Rot. Bonds

About 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

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 (PubChem CID 153310605) has the molecular formula C36H20N4 and a molecular weight of 508.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name29,32,35,38-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
PubChem CID153310605
Molecular FormulaC36H20N4
Molecular Weight508.58 g/mol
Exact Mass508.17
IUPAC Name29,32,35,38-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
SMILESc1cc2ccc1c1ccc3ccc4ccc(nc4c3n1)c1ccc(cc1)c1ccc3ccc4ccc2nc4c3n1
InChIInChI=1S/C36H20N4/c1-2-22-4-3-21(1)29-17-13-25-9-10-27-15-19-31(39-34(27)33(25)37-29)23-5-7-24(8-6-23)32-20-16-28-12-11-26-14-18-30(22)38-35(26)36(28)40-32/h1-20H/b29-21-,30-22-,31-23-,32-24-
InChIKeyHJJKPTLZOCKHGS-ZKJAMNBOSA-N
XLogP9.05
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline
CID 91130675
2,9-Dimethylidene-1,10-phenanthroline
CID 123544525
(1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 134980390
19,26-Diazadodecacyclo[38.2.2.22,5.26,9.210,13.214,17.218,21.224,27.228,31.232,35.236,39.020,25]dohexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61-hentriacontaene
CID 138979324
6,24,43-Trifluoro-3,10,21,28,39,46-hexazatridecacyclo[50.2.2.212,15.216,19.230,33.234,37.248,51.02,11.04,9.020,29.022,27.038,47.040,45]hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontaene
CID 101908580
11-Azanonacyclo[19.16.0.02,14.04,12.05,10.015,20.023,36.024,29.030,35]heptatriaconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,29,31,33,35-octadecaene
CID 117667401
9,10-Dihydronaphtho[2,3-b]acridine
CID 130290930
24,25-Dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene
CID 149385143
8,15,31,34-Tetrazanonacyclo[20.8.4.22,5.218,21.16,10.113,17.09,14.025,33.028,32]tetraconta-1,3,5,7,9(14),10(38),11,13(37),15,17,19,21,23,25,27,29,31,33,35,39-icosaene
CID 153310592
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-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
8,15-Dimethyl-31,34-diaza-8,15-diazonianonacyclo[20.8.4.22,5.218,21.16,10.113,17.09,14.025,33.028,32]tetraconta-1,3,5,7,9(14),10(38),11,13(37),15,17,19,21,23,25,27,29,31,33,35,39-icosaene
CID 153310627

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc2ccc1c1ccc3ccc4ccc(nc4c3n1)c1ccc(cc1)c1ccc3ccc4ccc2nc4c3n1.
What is the InChIKey of 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?
The InChIKey is HJJKPTLZOCKHGS-ZKJAMNBOSA-N. The full InChI is InChI=1S/C36H20N4/c1-2-22-4-3-21(1)29-17-13-25-9-10-27-15-19-31(39-34(27)33(25)37-29)23-5-7-24(8-6-23)32-20-16-28-12-11-26-14-18-30(22)38-35(26)36(28)40-32/h1-20H/b29-21-,30-22-,31-23-,32-24-.
What are the key properties of 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?
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 has a molecular weight of 508.58 g/mol, XLogP of 9.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153310605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).