hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene

C24H16 — CID 58250867

IUPAChexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
SMILESc1ccc2cc3c(cc2c1)CC1=C3Cc2cc3ccccc3cc21
InChIInChI=1S/C24H16/c1-3-7-17-11-21-19(9-15(17)5-1)13-23-22-12-18-8-4-2-6-16(18)10-20(22)14-24(21)23/h1-12H,13-14H2
InChIKeyDWVNLQAALNDSBP-UHFFFAOYSA-N
MW304.39 g/mol
LogP6.02
Rot. Bonds

About hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene

hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene (PubChem CID 58250867) has the molecular formula C24H16 and a molecular weight of 304.39 g/mol. Its IUPAC name is hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene.

Molecular Properties

Compound Namehexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
PubChem CID58250867
Molecular FormulaC24H16
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Namehexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
SMILESc1ccc2cc3c(cc2c1)CC1=C3Cc2cc3ccccc3cc21
InChIInChI=1S/C24H16/c1-3-7-17-11-21-19(9-15(17)5-1)13-23-22-12-18-8-4-2-6-16(18)10-20(22)14-24(21)23/h1-12H,13-14H2
InChIKeyDWVNLQAALNDSBP-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

nonacyclo[19.16.0.03,19.04,17.06,15.08,13.023,36.025,34.027,32]heptatriaconta-1(37),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33,35-octadecaene
CID 59787194
13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene
CID 10125506
benzene;bis(nonacyclo[30.8.0.02,11.04,9.012,21.014,19.022,31.024,29.034,39]tetraconta-1(32),2,4,6,8,10,12(21),13,19,22,24,26,28,30,34,36,38-heptadecaene)
CID 71338931
1H-cyclopropa[b]naphthalene;ethane
CID 144907572
tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene
CID 157096961
5,7,14,16-tetrahydrohexacene
CID 139940246
3,4-dimethyl-11H-benzo[b]fluorene
CID 159162608
tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 142172700
3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde
CID 102097914
2-chloro-4H-anthracene-1,3-dione
CID 18401951
1,4-dihydroanthracene
CID 10142816
benzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 175426701

Frequently Asked Questions

What is the IUPAC name of hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene?
The IUPAC name of hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene (CID 58250867) is hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene.
What is the SMILES notation for hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene?
The canonical SMILES for hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene is c1ccc2cc3c(cc2c1)CC1=C3Cc2cc3ccccc3cc21.
What is the InChIKey of hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene?
The InChIKey is DWVNLQAALNDSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16/c1-3-7-17-11-21-19(9-15(17)5-1)13-23-22-12-18-8-4-2-6-16(18)10-20(22)14-24(21)23/h1-12H,13-14H2.
What are the key properties of hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene?
hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene has a molecular weight of 304.39 g/mol, XLogP of 6.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene is sourced from PubChem (CID 58250867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).