hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene

C23H14 — CID 173064560

IUPAChexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene
SMILESC1=Cc2c3c(c4cccc5ccc(c2c54)C1)=c1ccccc1=C3
InChIInChI=1S/C23H14/c1-2-8-17-16(5-1)13-20-18-9-3-6-14-11-12-15-7-4-10-19(23(17)20)22(15)21(14)18/h1-5,7-13H,6H2
InChIKeyJRDNKLSXQDALCQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.71
Rot. Bonds

About hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene

hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene (PubChem CID 173064560) has the molecular formula C23H14 and a molecular weight of 290.37 g/mol. Its IUPAC name is hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene.

Molecular Properties

Compound Namehexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene
PubChem CID173064560
Molecular FormulaC23H14
Molecular Weight290.37 g/mol
Exact Mass290.11
IUPAC Namehexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene
SMILESC1=Cc2c3c(c4cccc5ccc(c2c54)C1)=c1ccccc1=C3
InChIInChI=1S/C23H14/c1-2-8-17-16(5-1)13-20-18-9-3-6-14-11-12-15-7-4-10-19(23(17)20)22(15)21(14)18/h1-5,7-13H,6H2
InChIKeyJRDNKLSXQDALCQ-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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4-methyl-1H-phenalene;1H-phenalene
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9-tert-butyl-3H-cyclopenta[a]naphthalene
CID 148527121
4-ethenyl-1H-phenalene;N-methylmethanamine
CID 174594490
hexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene
CID 21087894
benzo[e]pyrene
CID 9128
1H-phenalene;hydrofluoride
CID 174317076
N-(2H-phenanthren-1-ylidene)hydroxylamine
CID 140978322
cyclobutene;1H-phenalene
CID 175310152
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CID 174365170

Frequently Asked Questions

What is the IUPAC name of hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene?
The IUPAC name of hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene (CID 173064560) is hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene.
What is the SMILES notation for hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene?
The canonical SMILES for hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene is C1=Cc2c3c(c4cccc5ccc(c2c54)C1)=c1ccccc1=C3.
What is the InChIKey of hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene?
The InChIKey is JRDNKLSXQDALCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14/c1-2-8-17-16(5-1)13-20-18-9-3-6-14-11-12-15-7-4-10-19(23(17)20)22(15)21(14)18/h1-5,7-13H,6H2.
What are the key properties of hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene?
hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene has a molecular weight of 290.37 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene is sourced from PubChem (CID 173064560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).