(1R,2R,3S,6S,7S,8S)-4-iodo-5-[(1R,2S,3S,6R,7S,8S)-5-iodo-4-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl]pentacyclo[4.3.0.02,4.03,8.05,7]nonane

C18H16I2 — CID 22833797

IUPAC(1R,2R,3S,6S,7S,8S)-4-iodo-5-[(1R,2S,3S,6R,7S,8S)-5-iodo-4-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl]pentacyclo[4.3.0.02,4.03,8.05,7]nonane
SMILESIC12[C@@H]3[C@@H]4C[C@H]([C@@H]31)[C@H]1[C@H]4C12C12[C@H]3[C@@H]4C[C@@H]([C@@H]5[C@H]4C51I)[C@@H]32
InChIInChI=1S/C18H16I2/c19-17-11-3-1-4(12(11)17)8-7(3)15(8,17)16-9-5-2-6(10(9)16)14-13(5)18(14,16)20/h3-14H,1-2H2/t3-,4+,5-,6+,7-,8-,9-,10-,11-,12+,13-,14+,15?,16?,17?,18?/m0/s1
InChIKeyXQQCBOTVXBOSIZ-CNVOHJAYSA-N
MW486.13 g/mol
LogP3.62
Rot. Bonds1

About (1R,2R,3S,6S,7S,8S)-4-iodo-5-[(1R,2S,3S,6R,7S,8S)-5-iodo-4-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl]pentacyclo[4.3.0.02,4.03,8.05,7]nonane

(1R,2R,3S,6S,7S,8S)-4-iodo-5-[(1R,2S,3S,6R,7S,8S)-5-iodo-4-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl]pentacyclo[4.3.0.02,4.03,8.05,7]nonane (PubChem CID 22833797) has the molecular formula C18H16I2 and a molecular weight of 486.13 g/mol. Its IUPAC name is (1R,2R,3S,6S,7S,8S)-4-iodo-5-[(1R,2S,3S,6R,7S,8S)-5-iodo-4-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl]pentacyclo[4.3.0.02,4.03,8.05,7]nonane.

Molecular Properties

Compound Name(1R,2R,3S,6S,7S,8S)-4-iodo-5-[(1R,2S,3S,6R,7S,8S)-5-iodo-4-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl]pentacyclo[4.3.0.02,4.03,8.05,7]nonane
PubChem CID22833797
Molecular FormulaC18H16I2
Molecular Weight486.13 g/mol
Exact Mass485.93
IUPAC Name(1R,2R,3S,6S,7S,8S)-4-iodo-5-[(1R,2S,3S,6R,7S,8S)-5-iodo-4-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl]pentacyclo[4.3.0.02,4.03,8.05,7]nonane
SMILESIC12[C@@H]3[C@@H]4C[C@H]([C@@H]31)[C@H]1[C@H]4C12C12[C@H]3[C@@H]4C[C@@H]([C@@H]5[C@H]4C51I)[C@@H]32
InChIInChI=1S/C18H16I2/c19-17-11-3-1-4(12(11)17)8-7(3)15(8,17)16-9-5-2-6(10(9)16)14-13(5)18(14,16)20/h3-14H,1-2H2/t3-,4+,5-,6+,7-,8-,9-,10-,11-,12+,13-,14+,15?,16?,17?,18?/m0/s1
InChIKeyXQQCBOTVXBOSIZ-CNVOHJAYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.13
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,2R,3S,6S,7S,8S)-4-iodo-5-[(1R,2S,3S,6R,7S,8S)-5-iodo-4-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl]pentacyclo[4.3.0.02,4.03,8.05,7]nonane 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

(3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane
CID 163021174
4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane
CID 10397012
(2S,3R,6S,7R,9R,10S,13S,14R)-3,4,5,6,10,11,12,13,16,16,17,17-dodecachlorohexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadeca-4,11-diene
CID 99649825
heptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine
CID 135013897
(6R,7S,9R,10S,13S,14R,16S,17R)-3-azaoctacyclo[8.7.0.01,5.05,13.06,11.07,9.012,17.014,16]heptadecane
CID 52952468
octacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane
CID 134899170
(1S,7R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,8,9,9-tetracarbonitrile
CID 134979367
heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol
CID 14762495
(2S,3R,5S,6R,8S,9R,11S,12R)-4,10-dioxahexacyclo[5.5.1.02,6.03,5.08,12.09,11]tridecane-3,5,9,11-tetracarbonyl chloride
CID 101057066
methyl 5-aminopentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate;hydrochloride
CID 13147072
(1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane
CID 124764003
pentacyclo[5.4.0.02,6.03,10.05,9]undecane-1,7-diol
CID 12841246

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,6S,7S,8S)-4-iodo-5-[(1R,2S,3S,6R,7S,8S)-5-iodo-4-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl]pentacyclo[4.3.0.02,4.03,8.05,7]nonane?
The IUPAC name of (1R,2R,3S,6S,7S,8S)-4-iodo-5-[(1R,2S,3S,6R,7S,8S)-5-iodo-4-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl]pentacyclo[4.3.0.02,4.03,8.05,7]nonane (CID 22833797) is (1R,2R,3S,6S,7S,8S)-4-iodo-5-[(1R,2S,3S,6R,7S,8S)-5-iodo-4-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl]pentacyclo[4.3.0.02,4.03,8.05,7]nonane.
What is the SMILES notation for (1R,2R,3S,6S,7S,8S)-4-iodo-5-[(1R,2S,3S,6R,7S,8S)-5-iodo-4-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl]pentacyclo[4.3.0.02,4.03,8.05,7]nonane?
The canonical SMILES for (1R,2R,3S,6S,7S,8S)-4-iodo-5-[(1R,2S,3S,6R,7S,8S)-5-iodo-4-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl]pentacyclo[4.3.0.02,4.03,8.05,7]nonane is IC12[C@@H]3[C@@H]4C[C@H]([C@@H]31)[C@H]1[C@H]4C12C12[C@H]3[C@@H]4C[C@@H]([C@@H]5[C@H]4C51I)[C@@H]32.
What is the InChIKey of (1R,2R,3S,6S,7S,8S)-4-iodo-5-[(1R,2S,3S,6R,7S,8S)-5-iodo-4-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl]pentacyclo[4.3.0.02,4.03,8.05,7]nonane?
The InChIKey is XQQCBOTVXBOSIZ-CNVOHJAYSA-N. The full InChI is InChI=1S/C18H16I2/c19-17-11-3-1-4(12(11)17)8-7(3)15(8,17)16-9-5-2-6(10(9)16)14-13(5)18(14,16)20/h3-14H,1-2H2/t3-,4+,5-,6+,7-,8-,9-,10-,11-,12+,13-,14+,15?,16?,17?,18?/m0/s1.
What are the key properties of (1R,2R,3S,6S,7S,8S)-4-iodo-5-[(1R,2S,3S,6R,7S,8S)-5-iodo-4-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl]pentacyclo[4.3.0.02,4.03,8.05,7]nonane?
(1R,2R,3S,6S,7S,8S)-4-iodo-5-[(1R,2S,3S,6R,7S,8S)-5-iodo-4-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl]pentacyclo[4.3.0.02,4.03,8.05,7]nonane has a molecular weight of 486.13 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,6S,7S,8S)-4-iodo-5-[(1R,2S,3S,6R,7S,8S)-5-iodo-4-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl]pentacyclo[4.3.0.02,4.03,8.05,7]nonane is sourced from PubChem (CID 22833797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).