hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane

C47H84 — CID 123895586

IUPAChexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
SMILESC1CCCC2CCCC3CCCC4CCCC5CCC6CCCCCCC6CCCCC5CCCCC4CCC3CCCC2CCC1
InChIInChI=1S/C47H84/c1-2-6-19-40-26-14-29-43-30-15-28-42-31-17-32-46-36-34-44-21-9-5-4-8-18-38(44)22-10-11-23-39(46)24-12-13-25-45(42)35-37-47(43)33-16-27-41(40)20-7-3-1/h38-47H,1-37H2
InChIKeyGFJMKMBYLVIWBH-UHFFFAOYSA-N
MW649.19 g/mol
LogP15.66
Rot. Bonds

About hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane

hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane (PubChem CID 123895586) has the molecular formula C47H84 and a molecular weight of 649.19 g/mol. Its IUPAC name is hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane.

Molecular Properties

Compound Namehexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
PubChem CID123895586
Molecular FormulaC47H84
Molecular Weight649.19 g/mol
Exact Mass648.66
IUPAC Namehexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
SMILESC1CCCC2CCCC3CCCC4CCCC5CCC6CCCCCCC6CCCCC5CCCCC4CCC3CCCC2CCC1
InChIInChI=1S/C47H84/c1-2-6-19-40-26-14-29-43-30-15-28-42-31-17-32-46-36-34-44-21-9-5-4-8-18-38(44)22-10-11-23-39(46)24-12-13-25-45(42)35-37-47(43)33-16-27-41(40)20-7-3-1/h38-47H,1-37H2
InChIKeyGFJMKMBYLVIWBH-UHFFFAOYSA-N
XLogP15.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.19
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane 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

tricyclo[11.9.0.05,8]docosane
CID 123241919
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
(1R,5R)-bicyclo[3.2.0]heptane
CID 123536914
cyclononylcycloicosane
CID 123187062
azane;cyclohexylcyclohexane
CID 66583255
tricyclo[11.3.0.05,9]hexadecane
CID 154595560

Frequently Asked Questions

What is the IUPAC name of hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane?
The IUPAC name of hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane (CID 123895586) is hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane.
What is the SMILES notation for hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane?
The canonical SMILES for hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane is C1CCCC2CCCC3CCCC4CCCC5CCC6CCCCCCC6CCCCC5CCCCC4CCC3CCCC2CCC1.
What is the InChIKey of hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane?
The InChIKey is GFJMKMBYLVIWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H84/c1-2-6-19-40-26-14-29-43-30-15-28-42-31-17-32-46-36-34-44-21-9-5-4-8-18-38(44)22-10-11-23-39(46)24-12-13-25-45(42)35-37-47(43)33-16-27-41(40)20-7-3-1/h38-47H,1-37H2.
What are the key properties of hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane?
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane has a molecular weight of 649.19 g/mol, XLogP of 15.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane is sourced from PubChem (CID 123895586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).