8,9,21,22,34,35-hexaiodo-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,16(41),17(26),18,20,22,24,27,29(40),30(39),31,33,35,37-henicosaene

C36H12I6N6 — CID 132544389

IUPAC8,9,21,22,34,35-hexaiodo-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,16(41),17(26),18,20,22,24,27,29(40),30(39),31,33,35,37-henicosaene
SMILESIc1cc2cc3c(cc2cc1I)/C1=N/C2=N/C(=N\C4=N/C(=N\C3=N1)c1cc3cc(I)c(I)cc3cc14)c1cc3cc(I)c(I)cc3cc12
InChIInChI=1S/C36H12I6N6/c37-25-7-13-1-19-20(2-14(13)8-26(25)38)32-43-31(19)46-33-21-3-15-9-27(39)28(40)10-16(15)4-22(21)35(44-33)48-36-24-6-18-12-30(42)29(41)11-17(18)5-23(24)34(45-36)47-32/h1-12H/b46-31-,46-33-,47-32-,47-34-,48-35-,48-36-
InChIKeyZOHZNKSVDCHYLK-RABOZACMSA-N
MW1289.96 g/mol
LogP10.71
Rot. Bonds

About 8,9,21,22,34,35-hexaiodo-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,16(41),17(26),18,20,22,24,27,29(40),30(39),31,33,35,37-henicosaene

8,9,21,22,34,35-hexaiodo-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,16(41),17(26),18,20,22,24,27,29(40),30(39),31,33,35,37-henicosaene (PubChem CID 132544389) has the molecular formula C36H12I6N6 and a molecular weight of 1289.96 g/mol. Its IUPAC name is 8,9,21,22,34,35-hexaiodo-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,16(41),17(26),18,20,22,24,27,29(40),30(39),31,33,35,37-henicosaene.

Molecular Properties

Compound Name8,9,21,22,34,35-hexaiodo-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,16(41),17(26),18,20,22,24,27,29(40),30(39),31,33,35,37-henicosaene
PubChem CID132544389
Molecular FormulaC36H12I6N6
Molecular Weight1289.96 g/mol
Exact Mass1289.54
IUPAC Name8,9,21,22,34,35-hexaiodo-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,16(41),17(26),18,20,22,24,27,29(40),30(39),31,33,35,37-henicosaene
SMILESIc1cc2cc3c(cc2cc1I)/C1=N/C2=N/C(=N\C4=N/C(=N\C3=N1)c1cc3cc(I)c(I)cc3cc14)c1cc3cc(I)c(I)cc3cc12
InChIInChI=1S/C36H12I6N6/c37-25-7-13-1-19-20(2-14(13)8-26(25)38)32-43-31(19)46-33-21-3-15-9-27(39)28(40)10-16(15)4-22(21)35(44-33)48-36-24-6-18-12-30(42)29(41)11-17(18)5-23(24)34(45-36)47-32/h1-12H/b46-31-,46-33-,47-32-,47-34-,48-35-,48-36-
InChIKeyZOHZNKSVDCHYLK-RABOZACMSA-N
XLogP10.71
TPSA74.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001289.96
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8,9,21,22,34,35-hexaiodo-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,16(41),17(26),18,20,22,24,27,29(40),30(39),31,33,35,37-henicosaene 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

CID 172514731
CID 172514731
2,6-diiodo-3,7-dimethylnaphthalene
CID 153291059
2,6-dibromo-3-iodoquinoline
CID 168869805
6,7-diiodonaphthalene-2-sulfonate
CID 177131444
2,3-diiodoquinolin-6-ol
CID 174698607
hexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene
CID 102250040
CID 20702785
CID 20702785
2-(5-fluoro-2-iodophenyl)-6-methoxypyridine
CID 143842030
1-iodobiphenylene
CID 23220849
6-bromo-5-chloro-3-iodopyridin-2-amine
CID 177338093
3-iodonaphthalene-2-carboxylic acid
CID 11460714
5-bromo-1,2,3-triiodobenzene
CID 102583151

Frequently Asked Questions

What is the IUPAC name of 8,9,21,22,34,35-hexaiodo-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,16(41),17(26),18,20,22,24,27,29(40),30(39),31,33,35,37-henicosaene?
The IUPAC name of 8,9,21,22,34,35-hexaiodo-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,16(41),17(26),18,20,22,24,27,29(40),30(39),31,33,35,37-henicosaene (CID 132544389) is 8,9,21,22,34,35-hexaiodo-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,16(41),17(26),18,20,22,24,27,29(40),30(39),31,33,35,37-henicosaene.
What is the SMILES notation for 8,9,21,22,34,35-hexaiodo-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,16(41),17(26),18,20,22,24,27,29(40),30(39),31,33,35,37-henicosaene?
The canonical SMILES for 8,9,21,22,34,35-hexaiodo-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,16(41),17(26),18,20,22,24,27,29(40),30(39),31,33,35,37-henicosaene is Ic1cc2cc3c(cc2cc1I)/C1=N/C2=N/C(=N\C4=N/C(=N\C3=N1)c1cc3cc(I)c(I)cc3cc14)c1cc3cc(I)c(I)cc3cc12.
What is the InChIKey of 8,9,21,22,34,35-hexaiodo-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,16(41),17(26),18,20,22,24,27,29(40),30(39),31,33,35,37-henicosaene?
The InChIKey is ZOHZNKSVDCHYLK-RABOZACMSA-N. The full InChI is InChI=1S/C36H12I6N6/c37-25-7-13-1-19-20(2-14(13)8-26(25)38)32-43-31(19)46-33-21-3-15-9-27(39)28(40)10-16(15)4-22(21)35(44-33)48-36-24-6-18-12-30(42)29(41)11-17(18)5-23(24)34(45-36)47-32/h1-12H/b46-31-,46-33-,47-32-,47-34-,48-35-,48-36-.
What are the key properties of 8,9,21,22,34,35-hexaiodo-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,16(41),17(26),18,20,22,24,27,29(40),30(39),31,33,35,37-henicosaene?
8,9,21,22,34,35-hexaiodo-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,16(41),17(26),18,20,22,24,27,29(40),30(39),31,33,35,37-henicosaene has a molecular weight of 1289.96 g/mol, XLogP of 10.71, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,21,22,34,35-hexaiodo-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,16(41),17(26),18,20,22,24,27,29(40),30(39),31,33,35,37-henicosaene is sourced from PubChem (CID 132544389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).