hexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1,3,6,8,10,12,14,16,18,20(23),21-undecaene

C23H14 — CID 91303515

IUPAChexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1,3,6,8,10,12,14,16,18,20(23),21-undecaene
SMILESC1=Cc2c3c4c(ccc5c6ccccc6cc(c54)=C3)cc2=CC1
InChIInChI=1S/C23H14/c1-3-7-18-15(6-1)12-17-13-21-19-8-4-2-5-14(19)11-16-9-10-20(18)23(17)22(16)21/h1,3-13H,2H2
InChIKeyPVAHOXFCZGEQPT-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.49
Rot. Bonds

About hexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1,3,6,8,10,12,14,16,18,20(23),21-undecaene

hexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1,3,6,8,10,12,14,16,18,20(23),21-undecaene (PubChem CID 91303515) has the molecular formula C23H14 and a molecular weight of 290.37 g/mol. Its IUPAC name is hexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1,3,6,8,10,12,14,16,18,20(23),21-undecaene.

Molecular Properties

Compound Namehexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1,3,6,8,10,12,14,16,18,20(23),21-undecaene
PubChem CID91303515
Molecular FormulaC23H14
Molecular Weight290.37 g/mol
Exact Mass290.11
IUPAC Namehexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1,3,6,8,10,12,14,16,18,20(23),21-undecaene
SMILESC1=Cc2c3c4c(ccc5c6ccccc6cc(c54)=C3)cc2=CC1
InChIInChI=1S/C23H14/c1-3-7-18-15(6-1)12-17-13-21-19-8-4-2-5-14(19)11-16-9-10-20(18)23(17)22(16)21/h1,3-13H,2H2
InChIKeyPVAHOXFCZGEQPT-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
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[18.2.1.02,7.09,22.012,21.013,18]tricosa-1,3,6,8,10,12,14,16,18,20(23),21-undecaene?
The IUPAC name of hexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1,3,6,8,10,12,14,16,18,20(23),21-undecaene (CID 91303515) is hexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1,3,6,8,10,12,14,16,18,20(23),21-undecaene.
What is the SMILES notation for hexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1,3,6,8,10,12,14,16,18,20(23),21-undecaene?
The canonical SMILES for hexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1,3,6,8,10,12,14,16,18,20(23),21-undecaene is C1=Cc2c3c4c(ccc5c6ccccc6cc(c54)=C3)cc2=CC1.
What is the InChIKey of hexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1,3,6,8,10,12,14,16,18,20(23),21-undecaene?
The InChIKey is PVAHOXFCZGEQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14/c1-3-7-18-15(6-1)12-17-13-21-19-8-4-2-5-14(19)11-16-9-10-20(18)23(17)22(16)21/h1,3-13H,2H2.
What are the key properties of hexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1,3,6,8,10,12,14,16,18,20(23),21-undecaene?
hexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1,3,6,8,10,12,14,16,18,20(23),21-undecaene has a molecular weight of 290.37 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1,3,6,8,10,12,14,16,18,20(23),21-undecaene is sourced from PubChem (CID 91303515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).