heptacyclo[14.10.0.02,13.03,12.05,10.017,26.019,24]hexacosa-1(16),2(13),3,5,7,9,11,14,17,19,21,23,25-tridecaene

C26H14 — CID 14063004

IUPACheptacyclo[14.10.0.02,13.03,12.05,10.017,26.019,24]hexacosa-1(16),2(13),3,5,7,9,11,14,17,19,21,23,25-tridecaene
SMILESc1ccc2cc3c(cc2c1)c1ccc2c4cc5ccccc5cc4c2c13
InChIInChI=1S/C26H14/c1-3-7-17-13-23-21(11-15(17)5-1)19-9-10-20-22-12-16-6-2-4-8-18(16)14-24(22)26(20)25(19)23/h1-14H
InChIKeySHZWVCULFCWJKI-UHFFFAOYSA-N
MW326.40 g/mol
LogP7.48
Rot. Bonds

About heptacyclo[14.10.0.02,13.03,12.05,10.017,26.019,24]hexacosa-1(16),2(13),3,5,7,9,11,14,17,19,21,23,25-tridecaene

heptacyclo[14.10.0.02,13.03,12.05,10.017,26.019,24]hexacosa-1(16),2(13),3,5,7,9,11,14,17,19,21,23,25-tridecaene (PubChem CID 14063004) has the molecular formula C26H14 and a molecular weight of 326.40 g/mol. Its IUPAC name is heptacyclo[14.10.0.02,13.03,12.05,10.017,26.019,24]hexacosa-1(16),2(13),3,5,7,9,11,14,17,19,21,23,25-tridecaene.

Molecular Properties

Compound Nameheptacyclo[14.10.0.02,13.03,12.05,10.017,26.019,24]hexacosa-1(16),2(13),3,5,7,9,11,14,17,19,21,23,25-tridecaene
PubChem CID14063004
Molecular FormulaC26H14
Molecular Weight326.40 g/mol
Exact Mass326.11
IUPAC Nameheptacyclo[14.10.0.02,13.03,12.05,10.017,26.019,24]hexacosa-1(16),2(13),3,5,7,9,11,14,17,19,21,23,25-tridecaene
SMILESc1ccc2cc3c(cc2c1)c1ccc2c4cc5ccccc5cc4c2c13
InChIInChI=1S/C26H14/c1-3-7-17-13-23-21(11-15(17)5-1)19-9-10-20-22-12-16-6-2-4-8-18(16)14-24(22)26(20)25(19)23/h1-14H
InChIKeySHZWVCULFCWJKI-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze heptacyclo[14.10.0.02,13.03,12.05,10.017,26.019,24]hexacosa-1(16),2(13),3,5,7,9,11,14,17,19,21,23,25-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of heptacyclo[14.10.0.02,13.03,12.05,10.017,26.019,24]hexacosa-1(16),2(13),3,5,7,9,11,14,17,19,21,23,25-tridecaene?
The IUPAC name of heptacyclo[14.10.0.02,13.03,12.05,10.017,26.019,24]hexacosa-1(16),2(13),3,5,7,9,11,14,17,19,21,23,25-tridecaene (CID 14063004) is heptacyclo[14.10.0.02,13.03,12.05,10.017,26.019,24]hexacosa-1(16),2(13),3,5,7,9,11,14,17,19,21,23,25-tridecaene.
What is the SMILES notation for heptacyclo[14.10.0.02,13.03,12.05,10.017,26.019,24]hexacosa-1(16),2(13),3,5,7,9,11,14,17,19,21,23,25-tridecaene?
The canonical SMILES for heptacyclo[14.10.0.02,13.03,12.05,10.017,26.019,24]hexacosa-1(16),2(13),3,5,7,9,11,14,17,19,21,23,25-tridecaene is c1ccc2cc3c(cc2c1)c1ccc2c4cc5ccccc5cc4c2c13.
What is the InChIKey of heptacyclo[14.10.0.02,13.03,12.05,10.017,26.019,24]hexacosa-1(16),2(13),3,5,7,9,11,14,17,19,21,23,25-tridecaene?
The InChIKey is SHZWVCULFCWJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14/c1-3-7-17-13-23-21(11-15(17)5-1)19-9-10-20-22-12-16-6-2-4-8-18(16)14-24(22)26(20)25(19)23/h1-14H.
What are the key properties of heptacyclo[14.10.0.02,13.03,12.05,10.017,26.019,24]hexacosa-1(16),2(13),3,5,7,9,11,14,17,19,21,23,25-tridecaene?
heptacyclo[14.10.0.02,13.03,12.05,10.017,26.019,24]hexacosa-1(16),2(13),3,5,7,9,11,14,17,19,21,23,25-tridecaene has a molecular weight of 326.40 g/mol, XLogP of 7.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[14.10.0.02,13.03,12.05,10.017,26.019,24]hexacosa-1(16),2(13),3,5,7,9,11,14,17,19,21,23,25-tridecaene is sourced from PubChem (CID 14063004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).