hexacyclo[13.4.4.14,8.01,15.03,13.012,24]tetracosa-2,4,6,8(24),9,11,13,16,18,20,22-undecaene

C24H16 — CID 151631865

IUPAChexacyclo[13.4.4.14,8.01,15.03,13.012,24]tetracosa-2,4,6,8(24),9,11,13,16,18,20,22-undecaene
SMILESC1=CC23C=CC=CC2(C=C1)C=C1C(=C3)c2cccc3cccc1c23
InChIInChI=1S/C24H16/c1-2-12-24-14-4-3-13-23(24,11-1)15-20-18-9-5-7-17-8-6-10-19(22(17)18)21(20)16-24/h1-16H
InChIKeyQQRNPELCXDFLDU-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.86
Rot. Bonds

About hexacyclo[13.4.4.14,8.01,15.03,13.012,24]tetracosa-2,4,6,8(24),9,11,13,16,18,20,22-undecaene

hexacyclo[13.4.4.14,8.01,15.03,13.012,24]tetracosa-2,4,6,8(24),9,11,13,16,18,20,22-undecaene (PubChem CID 151631865) has the molecular formula C24H16 and a molecular weight of 304.39 g/mol. Its IUPAC name is hexacyclo[13.4.4.14,8.01,15.03,13.012,24]tetracosa-2,4,6,8(24),9,11,13,16,18,20,22-undecaene.

Molecular Properties

Compound Namehexacyclo[13.4.4.14,8.01,15.03,13.012,24]tetracosa-2,4,6,8(24),9,11,13,16,18,20,22-undecaene
PubChem CID151631865
Molecular FormulaC24H16
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Namehexacyclo[13.4.4.14,8.01,15.03,13.012,24]tetracosa-2,4,6,8(24),9,11,13,16,18,20,22-undecaene
SMILESC1=CC23C=CC=CC2(C=C1)C=C1C(=C3)c2cccc3cccc1c23
InChIInChI=1S/C24H16/c1-2-12-24-14-4-3-13-23(24,11-1)15-20-18-9-5-7-17-8-6-10-19(22(17)18)21(20)16-24/h1-16H
InChIKeyQQRNPELCXDFLDU-UHFFFAOYSA-N
XLogP5.86
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 ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze hexacyclo[13.4.4.14,8.01,15.03,13.012,24]tetracosa-2,4,6,8(24),9,11,13,16,18,20,22-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexacyclo[13.4.4.14,8.01,15.03,13.012,24]tetracosa-2,4,6,8(24),9,11,13,16,18,20,22-undecaene?
The IUPAC name of hexacyclo[13.4.4.14,8.01,15.03,13.012,24]tetracosa-2,4,6,8(24),9,11,13,16,18,20,22-undecaene (CID 151631865) is hexacyclo[13.4.4.14,8.01,15.03,13.012,24]tetracosa-2,4,6,8(24),9,11,13,16,18,20,22-undecaene.
What is the SMILES notation for hexacyclo[13.4.4.14,8.01,15.03,13.012,24]tetracosa-2,4,6,8(24),9,11,13,16,18,20,22-undecaene?
The canonical SMILES for hexacyclo[13.4.4.14,8.01,15.03,13.012,24]tetracosa-2,4,6,8(24),9,11,13,16,18,20,22-undecaene is C1=CC23C=CC=CC2(C=C1)C=C1C(=C3)c2cccc3cccc1c23.
What is the InChIKey of hexacyclo[13.4.4.14,8.01,15.03,13.012,24]tetracosa-2,4,6,8(24),9,11,13,16,18,20,22-undecaene?
The InChIKey is QQRNPELCXDFLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16/c1-2-12-24-14-4-3-13-23(24,11-1)15-20-18-9-5-7-17-8-6-10-19(22(17)18)21(20)16-24/h1-16H.
What are the key properties of hexacyclo[13.4.4.14,8.01,15.03,13.012,24]tetracosa-2,4,6,8(24),9,11,13,16,18,20,22-undecaene?
hexacyclo[13.4.4.14,8.01,15.03,13.012,24]tetracosa-2,4,6,8(24),9,11,13,16,18,20,22-undecaene has a molecular weight of 304.39 g/mol, XLogP of 5.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[13.4.4.14,8.01,15.03,13.012,24]tetracosa-2,4,6,8(24),9,11,13,16,18,20,22-undecaene is sourced from PubChem (CID 151631865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).