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

C24H33I — CID 89176820

IUPAC7-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
SMILESIC1CCC2CC(c3ccc4c(c3)CCC3CCCCC43)CCC2C1
InChIInChI=1S/C24H33I/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/h10,12,14,16-18,20,22-23H,1-9,11,13,15H2
InChIKeyXSBYJNPVCSJWAU-UHFFFAOYSA-N
MW448.43 g/mol
LogP7.39
Rot. Bonds1

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

7-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene (PubChem CID 89176820) has the molecular formula C24H33I and a molecular weight of 448.43 g/mol. Its IUPAC name is 7-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene.

Molecular Properties

Compound Name7-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
PubChem CID89176820
Molecular FormulaC24H33I
Molecular Weight448.43 g/mol
Exact Mass448.16
IUPAC Name7-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
SMILESIC1CCC2CC(c3ccc4c(c3)CCC3CCCCC43)CCC2C1
InChIInChI=1S/C24H33I/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/h10,12,14,16-18,20,22-23H,1-9,11,13,15H2
InChIKeyXSBYJNPVCSJWAU-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.43
LogP ≤ 57.39
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 7-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene with MolForge

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Related Compounds

2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 14026385
7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene
CID 134510844
4-(3-cyclopentylcyclopentyl)phenol
CID 57025920
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene
CID 142299961
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139864792
(4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol
CID 129388444
2-[(1S)-1-cyclohexyl-2,3-dihydro-1H-inden-5-yl]acetic acid
CID 129362111
1-[4-(4-chlorophenyl)cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 123892030
1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene
CID 156649341
8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene
CID 58257789

Frequently Asked Questions

What is the IUPAC name of 7-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
The IUPAC name of 7-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene (CID 89176820) is 7-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene.
What is the SMILES notation for 7-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
The canonical SMILES for 7-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene is IC1CCC2CC(c3ccc4c(c3)CCC3CCCCC43)CCC2C1.
What is the InChIKey of 7-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
The InChIKey is XSBYJNPVCSJWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33I/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/h10,12,14,16-18,20,22-23H,1-9,11,13,15H2.
What are the key properties of 7-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
7-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene has a molecular weight of 448.43 g/mol, XLogP of 7.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene is sourced from PubChem (CID 89176820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).