2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene

C24H37I — CID 89177060

IUPAC2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene
SMILESIC1CCC2CC(C3CCC4C5=C(CCCC5)CCC4C3)CCC2C1
InChIInChI=1S/C24H37I/c25-22-11-9-18-13-17(6-7-20(18)15-22)19-10-12-24-21(14-19)8-5-16-3-1-2-4-23(16)24/h17-22,24H,1-15H2
InChIKeyFEWICUCMISDSCX-UHFFFAOYSA-N
MW452.46 g/mol
LogP7.70
Rot. Bonds1

About 2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene

2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene (PubChem CID 89177060) has the molecular formula C24H37I and a molecular weight of 452.46 g/mol. Its IUPAC name is 2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene.

Molecular Properties

Compound Name2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene
PubChem CID89177060
Molecular FormulaC24H37I
Molecular Weight452.46 g/mol
Exact Mass452.19
IUPAC Name2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene
SMILESIC1CCC2CC(C3CCC4C5=C(CCCC5)CCC4C3)CCC2C1
InChIInChI=1S/C24H37I/c25-22-11-9-18-13-17(6-7-20(18)15-22)19-10-12-24-21(14-19)8-5-16-3-1-2-4-23(16)24/h17-22,24H,1-15H2
InChIKeyFEWICUCMISDSCX-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.46
LogP ≤ 57.70
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene?
The IUPAC name of 2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene (CID 89177060) is 2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene.
What is the SMILES notation for 2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene?
The canonical SMILES for 2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene is IC1CCC2CC(C3CCC4C5=C(CCCC5)CCC4C3)CCC2C1.
What is the InChIKey of 2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene?
The InChIKey is FEWICUCMISDSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37I/c25-22-11-9-18-13-17(6-7-20(18)15-22)19-10-12-24-21(14-19)8-5-16-3-1-2-4-23(16)24/h17-22,24H,1-15H2.
What are the key properties of 2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene?
2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene has a molecular weight of 452.46 g/mol, XLogP of 7.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene is sourced from PubChem (CID 89177060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).