pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane

C43H78 — CID 123459742

IUPACpentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
SMILESC1CCCCCC2CCCC3CCCC4CCCCC5CCCCCCCC5CCC4CCCC3CCC2CCCCC1
InChIInChI=1S/C43H78/c1-2-4-7-11-21-37-26-17-28-39-29-18-27-38-25-16-15-24-36-20-12-9-6-10-14-22-40(36)32-34-42(38)30-19-31-43(39)35-33-41(37)23-13-8-5-3-1/h36-43H,1-35H2
InChIKeyHRBDXXKHSRXXDA-UHFFFAOYSA-N
MW595.10 g/mol
LogP14.64
Rot. Bonds

About pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane

pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane (PubChem CID 123459742) has the molecular formula C43H78 and a molecular weight of 595.10 g/mol. Its IUPAC name is pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane.

Molecular Properties

Compound Namepentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
PubChem CID123459742
Molecular FormulaC43H78
Molecular Weight595.10 g/mol
Exact Mass594.61
IUPAC Namepentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
SMILESC1CCCCCC2CCCC3CCCC4CCCCC5CCCCCCCC5CCC4CCCC3CCC2CCCCC1
InChIInChI=1S/C43H78/c1-2-4-7-11-21-37-26-17-28-39-29-18-27-38-25-16-15-24-36-20-12-9-6-10-14-22-40(36)32-34-42(38)30-19-31-43(39)35-33-41(37)23-13-8-5-3-1/h36-43H,1-35H2
InChIKeyHRBDXXKHSRXXDA-UHFFFAOYSA-N
XLogP14.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.10
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane 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
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586
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 pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane?
The IUPAC name of pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane (CID 123459742) is pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane.
What is the SMILES notation for pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane?
The canonical SMILES for pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane is C1CCCCCC2CCCC3CCCC4CCCCC5CCCCCCCC5CCC4CCCC3CCC2CCCCC1.
What is the InChIKey of pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane?
The InChIKey is HRBDXXKHSRXXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H78/c1-2-4-7-11-21-37-26-17-28-39-29-18-27-38-25-16-15-24-36-20-12-9-6-10-14-22-40(36)32-34-42(38)30-19-31-43(39)35-33-41(37)23-13-8-5-3-1/h36-43H,1-35H2.
What are the key properties of pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane?
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane has a molecular weight of 595.10 g/mol, XLogP of 14.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane is sourced from PubChem (CID 123459742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).