14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene diiodide

C48H32I2N2 — CID 157249388

IUPAC14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene diiodide
SMILESC[N+]1(C)Cc2c(c3c4ccc5c6c7c8c9c%10c%11c%12c%13c(c%14c%12c%12c(c2c2c%12c%11c9c(c4c58)c32)C2C[N+](C)(C)CC%142)C=CC2C%13C=%10C7C2C=C6)C1.[I-].[I-]
InChIInChI=1S/C48H32N2.2HI/c1-49(2)11-21-23(13-49)33-34-24-14-50(3,4)12-22(24)26-20-10-8-18-16-6-5-15-17-7-9-19-25(21)35-39-31(19)29(17)37-27(15)28(16)38-30(18)32(20)40-36(26)42(34)45(41(33)35)48-46(39)43(37)44(38)47(40)48;;/h5-10,15,17,21,23,27,29H,11-14H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyFKMMCPYBCGMGOR-UHFFFAOYSA-L
MW890.61 g/mol
LogP3.42
Rot. Bonds

About 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene diiodide

14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene diiodide (PubChem CID 157249388) has the molecular formula C48H32I2N2 and a molecular weight of 890.61 g/mol. Its IUPAC name is 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene diiodide.

Molecular Properties

Compound Name14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene diiodide
PubChem CID157249388
Molecular FormulaC48H32I2N2
Molecular Weight890.61 g/mol
Exact Mass890.07
IUPAC Name14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene diiodide
SMILESC[N+]1(C)Cc2c(c3c4ccc5c6c7c8c9c%10c%11c%12c%13c(c%14c%12c%12c(c2c2c%12c%11c9c(c4c58)c32)C2C[N+](C)(C)CC%142)C=CC2C%13C=%10C7C2C=C6)C1.[I-].[I-]
InChIInChI=1S/C48H32N2.2HI/c1-49(2)11-21-23(13-49)33-34-24-14-50(3,4)12-22(24)26-20-10-8-18-16-6-5-15-17-7-9-19-25(21)35-39-31(19)29(17)37-27(15)28(16)38-30(18)32(20)40-36(26)42(34)45(41(33)35)48-46(39)43(37)44(38)47(40)48;;/h5-10,15,17,21,23,27,29H,11-14H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyFKMMCPYBCGMGOR-UHFFFAOYSA-L
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500890.61
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene diiodide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene diiodide?
The IUPAC name of 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene diiodide (CID 157249388) is 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene diiodide.
What is the SMILES notation for 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene diiodide?
The canonical SMILES for 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene diiodide is C[N+]1(C)Cc2c(c3c4ccc5c6c7c8c9c%10c%11c%12c%13c(c%14c%12c%12c(c2c2c%12c%11c9c(c4c58)c32)C2C[N+](C)(C)CC%142)C=CC2C%13C=%10C7C2C=C6)C1.[I-].[I-].
What is the InChIKey of 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene diiodide?
The InChIKey is FKMMCPYBCGMGOR-UHFFFAOYSA-L. The full InChI is InChI=1S/C48H32N2.2HI/c1-49(2)11-21-23(13-49)33-34-24-14-50(3,4)12-22(24)26-20-10-8-18-16-6-5-15-17-7-9-19-25(21)35-39-31(19)29(17)37-27(15)28(16)38-30(18)32(20)40-36(26)42(34)45(41(33)35)48-46(39)43(37)44(38)47(40)48;;/h5-10,15,17,21,23,27,29H,11-14H2,1-4H3;2*1H/q+2;;/p-2.
What are the key properties of 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene diiodide?
14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene diiodide has a molecular weight of 890.61 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14,24,24-tetramethyl-14,24-diazoniaoctadecacyclo[33.10.1.02,33.03,8.04,45.07,11.09,32.010,18.012,16.017,21.019,31.020,28.022,26.027,38.029,37.030,34.036,41.042,46]hexatetraconta-1,3(8),4(45),5,7(11),9,12(16),17(21),18,20(28),27(38),29(37),30,32,34,39,43-heptadecaene diiodide is sourced from PubChem (CID 157249388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).