hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol

C24H14O — CID 132511062

IUPAChexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol
SMILESOc1ccc2cccc3c2c1-c1c-3c2ccccc2c2ccccc12
InChIInChI=1S/C24H14O/c25-20-13-12-14-6-5-11-19-21(14)24(20)23-18-10-4-2-8-16(18)15-7-1-3-9-17(15)22(19)23/h1-13,25H
InChIKeyJMRCUZYIYFAJLA-UHFFFAOYSA-N
MW318.38 g/mol
LogP6.50
Rot. Bonds

About hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol

hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol (PubChem CID 132511062) has the molecular formula C24H14O and a molecular weight of 318.38 g/mol. Its IUPAC name is hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol.

Molecular Properties

Compound Namehexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol
PubChem CID132511062
Molecular FormulaC24H14O
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC Namehexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol
SMILESOc1ccc2cccc3c2c1-c1c-3c2ccccc2c2ccccc12
InChIInChI=1S/C24H14O/c25-20-13-12-14-6-5-11-19-21(14)24(20)23-18-10-4-2-8-16(18)15-7-1-3-9-17(15)22(19)23/h1-13,25H
InChIKeyJMRCUZYIYFAJLA-UHFFFAOYSA-N
XLogP6.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.38
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol with MolForge

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Related Compounds

4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol
CID 177433855
1-benzo[h]quinolin-10-ylnaphthalen-2-ol
CID 166447439
7,12-di(pyren-4-yl)benzo[k]fluoranthene
CID 123852618
1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene
CID 139892613
benzene-1,2-diol;perylene
CID 175494116
benzo[e]pyrene
CID 9128
19-naphthalen-2-ylhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene
CID 140710714
hexahelicen-1-ol
CID 102137730
hexacyclo[12.8.0.02,7.03,21.08,13.017,22]docosa-1(14),2(7),3,5,8,10,12,15,17(22),18,20-undecaene
CID 21087955
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
chrysene-3,4-diol
CID 23622151
phenanthrene;pyrene;triphenylene
CID 162115949

Frequently Asked Questions

What is the IUPAC name of hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol?
The IUPAC name of hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol (CID 132511062) is hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol.
What is the SMILES notation for hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol?
The canonical SMILES for hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol is Oc1ccc2cccc3c2c1-c1c-3c2ccccc2c2ccccc12.
What is the InChIKey of hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol?
The InChIKey is JMRCUZYIYFAJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14O/c25-20-13-12-14-6-5-11-19-21(14)24(20)23-18-10-4-2-8-16(18)15-7-1-3-9-17(15)22(19)23/h1-13,25H.
What are the key properties of hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol?
hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol has a molecular weight of 318.38 g/mol, XLogP of 6.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaen-17-ol is sourced from PubChem (CID 132511062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).