pentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane

C25H22 — CID 174075049

IUPACpentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane
SMILESC1CC23C1C1C4C5C6C7C8CC9CC%10C%11C%12C%13C%14C2C13C4%14C5%13C6%12C7%11C98%10
InChIInChI=1S/C25H22/c1-2-19-6(1)9-12-15-13-10-7-3-5-4-8-11-14-16-17-18(19)25(9,19)24(12,17)23(15,16)22(13,14)21(10,11)20(5,7)8/h5-18H,1-4H2
InChIKeyFLAARIBTHQSAQE-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.28
Rot. Bonds

About pentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane

pentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane (PubChem CID 174075049) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is pentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane.

Molecular Properties

Compound Namepentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane
PubChem CID174075049
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Namepentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane
SMILESC1CC23C1C1C4C5C6C7C8CC9CC%10C%11C%12C%13C%14C2C13C4%14C5%13C6%12C7%11C98%10
InChIInChI=1S/C25H22/c1-2-19-6(1)9-12-15-13-10-7-3-5-4-8-11-14-16-17-18(19)25(9,19)24(12,17)23(15,16)22(13,14)21(10,11)20(5,7)8/h5-18H,1-4H2
InChIKeyFLAARIBTHQSAQE-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze pentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane with MolForge

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Related Compounds

(22S,23S,24S,25S,26S,27S,28S,29S,30R,32R,33R,34R,35R,36R,37R)-tetratriacontacyclo[35.1.1.14,36.15,35.16,34.17,33.18,32.19,31.110,30.111,29.112,28.113,27.114,26.115,25.116,24.117,23.118,20.03,39.022,54.039,40.040,41.041,42.042,43.043,44.044,45.045,46.046,47.047,48.048,49.049,50.050,51.051,52.052,53.053,54]tetrapentacontane
CID 59330514
cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane
CID 158465043
(8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane
CID 174300171
4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane
CID 144514053
3,4,25,26-tetraiodohexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane
CID 129027654
N-chloromethanamine;methanethiol;octacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane
CID 142048716
10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane
CID 143326459
nonacyclo[6.4.0.01,6.02,5.02,11.03,8.03,10.04,7.09,12]dodecane
CID 101267008
CID 174243814
CID 174243814
CID 140625573
CID 140625573
1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane
CID 123216634
(1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol
CID 71499837

Frequently Asked Questions

What is the IUPAC name of pentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane?
The IUPAC name of pentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane (CID 174075049) is pentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane.
What is the SMILES notation for pentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane?
The canonical SMILES for pentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane is C1CC23C1C1C4C5C6C7C8CC9CC%10C%11C%12C%13C%14C2C13C4%14C5%13C6%12C7%11C98%10.
What is the InChIKey of pentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane?
The InChIKey is FLAARIBTHQSAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22/c1-2-19-6(1)9-12-15-13-10-7-3-5-4-8-11-14-16-17-18(19)25(9,19)24(12,17)23(15,16)22(13,14)21(10,11)20(5,7)8/h5-18H,1-4H2.
What are the key properties of pentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane?
pentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane has a molecular weight of 322.45 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane is sourced from PubChem (CID 174075049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).