heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosa-1(24),2(16),3(13),4,6,8(26),9,11,14,17,19,21(25),22-tridecaene

C26H14 — CID 629869

IUPACheptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosa-1(24),2(16),3(13),4,6,8(26),9,11,14,17,19,21(25),22-tridecaene
SMILESc1cc2cccc3c2c(c1)c1ccc2c4cccc5cccc(c54)c2c13
InChIInChI=1S/C26H14/c1-5-15-7-3-11-21-23(15)17(9-1)19-13-14-20-18-10-2-6-16-8-4-12-22(24(16)18)26(20)25(19)21/h1-14H
InChIKeyILYGRCGTUMHLGR-UHFFFAOYSA-N
MW326.40 g/mol
LogP7.48
Rot. Bonds

About heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosa-1(24),2(16),3(13),4,6,8(26),9,11,14,17,19,21(25),22-tridecaene

heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosa-1(24),2(16),3(13),4,6,8(26),9,11,14,17,19,21(25),22-tridecaene (PubChem CID 629869) has the molecular formula C26H14 and a molecular weight of 326.40 g/mol. Its IUPAC name is heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosa-1(24),2(16),3(13),4,6,8(26),9,11,14,17,19,21(25),22-tridecaene.

Molecular Properties

Compound Nameheptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosa-1(24),2(16),3(13),4,6,8(26),9,11,14,17,19,21(25),22-tridecaene
PubChem CID629869
Molecular FormulaC26H14
Molecular Weight326.40 g/mol
Exact Mass326.11
IUPAC Nameheptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosa-1(24),2(16),3(13),4,6,8(26),9,11,14,17,19,21(25),22-tridecaene
SMILESc1cc2cccc3c2c(c1)c1ccc2c4cccc5cccc(c54)c2c13
InChIInChI=1S/C26H14/c1-5-15-7-3-11-21-23(15)17(9-1)19-13-14-20-18-10-2-6-16-8-4-12-22(24(16)18)26(20)25(19)21/h1-14H
InChIKeyILYGRCGTUMHLGR-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[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosa-1(24),2(16),3(13),4,6,8(26),9,11,14,17,19,21(25),22-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosa-1(24),2(16),3(13),4,6,8(26),9,11,14,17,19,21(25),22-tridecaene?
The IUPAC name of heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosa-1(24),2(16),3(13),4,6,8(26),9,11,14,17,19,21(25),22-tridecaene (CID 629869) is heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosa-1(24),2(16),3(13),4,6,8(26),9,11,14,17,19,21(25),22-tridecaene.
What is the SMILES notation for heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosa-1(24),2(16),3(13),4,6,8(26),9,11,14,17,19,21(25),22-tridecaene?
The canonical SMILES for heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosa-1(24),2(16),3(13),4,6,8(26),9,11,14,17,19,21(25),22-tridecaene is c1cc2cccc3c2c(c1)c1ccc2c4cccc5cccc(c54)c2c13.
What is the InChIKey of heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosa-1(24),2(16),3(13),4,6,8(26),9,11,14,17,19,21(25),22-tridecaene?
The InChIKey is ILYGRCGTUMHLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14/c1-5-15-7-3-11-21-23(15)17(9-1)19-13-14-20-18-10-2-6-16-8-4-12-22(24(16)18)26(20)25(19)21/h1-14H.
What are the key properties of heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosa-1(24),2(16),3(13),4,6,8(26),9,11,14,17,19,21(25),22-tridecaene?
heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosa-1(24),2(16),3(13),4,6,8(26),9,11,14,17,19,21(25),22-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[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosa-1(24),2(16),3(13),4,6,8(26),9,11,14,17,19,21(25),22-tridecaene is sourced from PubChem (CID 629869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).