tricyclo[18.7.0.021,26]heptacosa-1(27),21,23,25-tetraene

C27H42 — CID 173141382

IUPACtricyclo[18.7.0.021,26]heptacosa-1(27),21,23,25-tetraene
SMILESC1=C2CCCCCCCCCCCCCCCCCCC2c2ccccc21
InChIInChI=1S/C27H42/c1-2-4-6-8-10-12-14-16-21-26-24(19-15-13-11-9-7-5-3-1)23-25-20-17-18-22-27(25)26/h17-18,20,22-23,26H,1-16,19,21H2
InChIKeyHQJKVBMVRFOZHX-UHFFFAOYSA-N
MW366.63 g/mol
LogP9.20
Rot. Bonds

About tricyclo[18.7.0.021,26]heptacosa-1(27),21,23,25-tetraene

tricyclo[18.7.0.021,26]heptacosa-1(27),21,23,25-tetraene (PubChem CID 173141382) has the molecular formula C27H42 and a molecular weight of 366.63 g/mol. Its IUPAC name is tricyclo[18.7.0.021,26]heptacosa-1(27),21,23,25-tetraene.

Molecular Properties

Compound Nametricyclo[18.7.0.021,26]heptacosa-1(27),21,23,25-tetraene
PubChem CID173141382
Molecular FormulaC27H42
Molecular Weight366.63 g/mol
Exact Mass366.33
IUPAC Nametricyclo[18.7.0.021,26]heptacosa-1(27),21,23,25-tetraene
SMILESC1=C2CCCCCCCCCCCCCCCCCCC2c2ccccc21
InChIInChI=1S/C27H42/c1-2-4-6-8-10-12-14-16-21-26-24(19-15-13-11-9-7-5-3-1)23-25-20-17-18-22-27(25)26/h17-18,20,22-23,26H,1-16,19,21H2
InChIKeyHQJKVBMVRFOZHX-UHFFFAOYSA-N
XLogP9.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tricyclo[18.7.0.021,26]heptacosa-1(27),21,23,25-tetraene?
The IUPAC name of tricyclo[18.7.0.021,26]heptacosa-1(27),21,23,25-tetraene (CID 173141382) is tricyclo[18.7.0.021,26]heptacosa-1(27),21,23,25-tetraene.
What is the SMILES notation for tricyclo[18.7.0.021,26]heptacosa-1(27),21,23,25-tetraene?
The canonical SMILES for tricyclo[18.7.0.021,26]heptacosa-1(27),21,23,25-tetraene is C1=C2CCCCCCCCCCCCCCCCCCC2c2ccccc21.
What is the InChIKey of tricyclo[18.7.0.021,26]heptacosa-1(27),21,23,25-tetraene?
The InChIKey is HQJKVBMVRFOZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42/c1-2-4-6-8-10-12-14-16-21-26-24(19-15-13-11-9-7-5-3-1)23-25-20-17-18-22-27(25)26/h17-18,20,22-23,26H,1-16,19,21H2.
What are the key properties of tricyclo[18.7.0.021,26]heptacosa-1(27),21,23,25-tetraene?
tricyclo[18.7.0.021,26]heptacosa-1(27),21,23,25-tetraene has a molecular weight of 366.63 g/mol, XLogP of 9.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[18.7.0.021,26]heptacosa-1(27),21,23,25-tetraene is sourced from PubChem (CID 173141382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).