hexacyclo[18.2.1.03,8.09,22.012,21.013,18]tricosa-1(23),2,4,6,8,10,12,14,16,18,21-undecaene

C23H14 — CID 91240636

IUPAChexacyclo[18.2.1.03,8.09,22.012,21.013,18]tricosa-1(23),2,4,6,8,10,12,14,16,18,21-undecaene
SMILESC1=c2ccccc2=c2ccc3c4c2C1C=c4cc1ccccc13
InChIInChI=1S/C23H14/c1-3-7-18-14(5-1)11-16-13-17-12-15-6-2-4-8-19(15)21-10-9-20(18)22(16)23(17)21/h1-13,16H
InChIKeyMXYSTADTKXIHJL-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.95
Rot. Bonds

About hexacyclo[18.2.1.03,8.09,22.012,21.013,18]tricosa-1(23),2,4,6,8,10,12,14,16,18,21-undecaene

hexacyclo[18.2.1.03,8.09,22.012,21.013,18]tricosa-1(23),2,4,6,8,10,12,14,16,18,21-undecaene (PubChem CID 91240636) has the molecular formula C23H14 and a molecular weight of 290.37 g/mol. Its IUPAC name is hexacyclo[18.2.1.03,8.09,22.012,21.013,18]tricosa-1(23),2,4,6,8,10,12,14,16,18,21-undecaene.

Molecular Properties

Compound Namehexacyclo[18.2.1.03,8.09,22.012,21.013,18]tricosa-1(23),2,4,6,8,10,12,14,16,18,21-undecaene
PubChem CID91240636
Molecular FormulaC23H14
Molecular Weight290.37 g/mol
Exact Mass290.11
IUPAC Namehexacyclo[18.2.1.03,8.09,22.012,21.013,18]tricosa-1(23),2,4,6,8,10,12,14,16,18,21-undecaene
SMILESC1=c2ccccc2=c2ccc3c4c2C1C=c4cc1ccccc13
InChIInChI=1S/C23H14/c1-3-7-18-14(5-1)11-16-13-17-12-15-6-2-4-8-19(15)21-10-9-20(18)22(16)23(17)21/h1-13,16H
InChIKeyMXYSTADTKXIHJL-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexacyclo[18.2.1.03,8.09,22.012,21.013,18]tricosa-1(23),2,4,6,8,10,12,14,16,18,21-undecaene?
The IUPAC name of hexacyclo[18.2.1.03,8.09,22.012,21.013,18]tricosa-1(23),2,4,6,8,10,12,14,16,18,21-undecaene (CID 91240636) is hexacyclo[18.2.1.03,8.09,22.012,21.013,18]tricosa-1(23),2,4,6,8,10,12,14,16,18,21-undecaene.
What is the SMILES notation for hexacyclo[18.2.1.03,8.09,22.012,21.013,18]tricosa-1(23),2,4,6,8,10,12,14,16,18,21-undecaene?
The canonical SMILES for hexacyclo[18.2.1.03,8.09,22.012,21.013,18]tricosa-1(23),2,4,6,8,10,12,14,16,18,21-undecaene is C1=c2ccccc2=c2ccc3c4c2C1C=c4cc1ccccc13.
What is the InChIKey of hexacyclo[18.2.1.03,8.09,22.012,21.013,18]tricosa-1(23),2,4,6,8,10,12,14,16,18,21-undecaene?
The InChIKey is MXYSTADTKXIHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14/c1-3-7-18-14(5-1)11-16-13-17-12-15-6-2-4-8-19(15)21-10-9-20(18)22(16)23(17)21/h1-13,16H.
What are the key properties of hexacyclo[18.2.1.03,8.09,22.012,21.013,18]tricosa-1(23),2,4,6,8,10,12,14,16,18,21-undecaene?
hexacyclo[18.2.1.03,8.09,22.012,21.013,18]tricosa-1(23),2,4,6,8,10,12,14,16,18,21-undecaene has a molecular weight of 290.37 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[18.2.1.03,8.09,22.012,21.013,18]tricosa-1(23),2,4,6,8,10,12,14,16,18,21-undecaene is sourced from PubChem (CID 91240636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).