hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene

C24H16 — CID 157080785

IUPAChexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
SMILESc1ccc2c(c1)Cc1cc3ccc4c(c3cc1-2)Cc1ccccc1-4
InChIInChI=1S/C24H16/c1-4-8-20-15(5-1)11-18-12-17-9-10-21-19-7-3-2-6-16(19)13-24(21)22(17)14-23(18)20/h1-10,12,14H,11,13H2
InChIKeyIUCAYCILAVHFSO-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.98
Rot. Bonds

About hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene

hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene (PubChem CID 157080785) has the molecular formula C24H16 and a molecular weight of 304.39 g/mol. Its IUPAC name is hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene.

Molecular Properties

Compound Namehexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
PubChem CID157080785
Molecular FormulaC24H16
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Namehexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
SMILESc1ccc2c(c1)Cc1cc3ccc4c(c3cc1-2)Cc1ccccc1-4
InChIInChI=1S/C24H16/c1-4-8-20-15(5-1)11-18-12-17-9-10-21-19-7-3-2-6-16(19)13-24(21)22(17)14-23(18)20/h1-10,12,14H,11,13H2
InChIKeyIUCAYCILAVHFSO-UHFFFAOYSA-N
XLogP5.98
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 ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene?
The IUPAC name of hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene (CID 157080785) is hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene.
What is the SMILES notation for hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene?
The canonical SMILES for hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene is c1ccc2c(c1)Cc1cc3ccc4c(c3cc1-2)Cc1ccccc1-4.
What is the InChIKey of hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene?
The InChIKey is IUCAYCILAVHFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16/c1-4-8-20-15(5-1)11-18-12-17-9-10-21-19-7-3-2-6-16(19)13-24(21)22(17)14-23(18)20/h1-10,12,14H,11,13H2.
What are the key properties of hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene?
hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene has a molecular weight of 304.39 g/mol, XLogP of 5.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene is sourced from PubChem (CID 157080785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).