tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane)

C105H154 — CID 158145834

IUPACtetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane)
SMILESC1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2CC1C1CC3C4CCC(C4)C3C21.C1CC2CC1C1CC3C4CCC(C4)C3C21.C1CC2CC1C1CC3C4CCC(C4)C3C21
InChIInChI=1S/7C15H22/c3*1-3-10-5-8(1)12-7-13-9-2-4-11(6-9)15(13)14(10)12;4*1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14/h7*8-15H,1-7H2
InChIKeyFUMUJUPHLMSHBK-UHFFFAOYSA-N
MW1416.39 g/mol
LogP26.00
Rot. Bonds

About tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane)

tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane) (PubChem CID 158145834) has the molecular formula C105H154 and a molecular weight of 1416.39 g/mol. Its IUPAC name is tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane).

Molecular Properties

Compound Nametetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane)
PubChem CID158145834
Molecular FormulaC105H154
Molecular Weight1416.39 g/mol
Exact Mass1415.21
IUPAC Nametetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane)
SMILESC1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2CC1C1CC3C4CCC(C4)C3C21.C1CC2CC1C1CC3C4CCC(C4)C3C21.C1CC2CC1C1CC3C4CCC(C4)C3C21
InChIInChI=1S/7C15H22/c3*1-3-10-5-8(1)12-7-13-9-2-4-11(6-9)15(13)14(10)12;4*1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14/h7*8-15H,1-7H2
InChIKeyFUMUJUPHLMSHBK-UHFFFAOYSA-N
XLogP26.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001416.39
LogP ≤ 526.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane) 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

ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 91597819
ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane
CID 91554389
tetracyclo[8.2.1.02,9.03,7]tridecane
CID 117070325
(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
tetracyclo[9.2.1.02,10.03,8]tetradecane
CID 6850833
hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane
CID 140677748
tricyclo[4.4.0.02,8]decane
CID 585864
tetracyclo[6.3.1.02,6.010,12]dodecane
CID 146743747
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048
9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-10-[6-(1,2,3,4,4a,4b,5,6,7,8,8a,8b-dodecahydrobiphenylen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 144809758
4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
CID 164666249

Frequently Asked Questions

What is the IUPAC name of tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane)?
The IUPAC name of tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane) (CID 158145834) is tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane).
What is the SMILES notation for tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane)?
The canonical SMILES for tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane) is C1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2CC1C1CC3C4CCC(C4)C3C21.C1CC2CC1C1CC3C4CCC(C4)C3C21.C1CC2CC1C1CC3C4CCC(C4)C3C21.
What is the InChIKey of tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane)?
The InChIKey is FUMUJUPHLMSHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/7C15H22/c3*1-3-10-5-8(1)12-7-13-9-2-4-11(6-9)15(13)14(10)12;4*1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14/h7*8-15H,1-7H2.
What are the key properties of tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane)?
tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane) has a molecular weight of 1416.39 g/mol, XLogP of 26.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane) is sourced from PubChem (CID 158145834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).