(1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene

C26H24 — CID 139082581

IUPAC(1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene
SMILESc1ccc2c(c1)C1=C(c3ccccc3C3=C2[C@H]2CC[C@@H]3C2)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C26H24/c1-2-6-20-19(5-1)23-15-9-10-17(13-15)25(23)21-7-3-4-8-22(21)26-18-12-11-16(14-18)24(20)26/h1-8,15-18H,9-14H2/b23-19-,24-20-,25-21-,26-22-/t15-,16+,17+,18-
InChIKeyUGMVJZLTNJFRBG-ICTYYSPESA-N
MW336.48 g/mol
LogP6.68
Rot. Bonds

About (1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene

(1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene (PubChem CID 139082581) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is (1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene.

Molecular Properties

Compound Name(1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene
PubChem CID139082581
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name(1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene
SMILESc1ccc2c(c1)C1=C(c3ccccc3C3=C2[C@H]2CC[C@@H]3C2)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C26H24/c1-2-6-20-19(5-1)23-15-9-10-17(13-15)25(23)21-7-3-4-8-22(21)26-18-12-11-16(14-18)24(20)26/h1-8,15-18H,9-14H2/b23-19-,24-20-,25-21-,26-22-/t15-,16+,17+,18-
InChIKeyUGMVJZLTNJFRBG-ICTYYSPESA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene?
The IUPAC name of (1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene (CID 139082581) is (1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene.
What is the SMILES notation for (1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene?
The canonical SMILES for (1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene is c1ccc2c(c1)C1=C(c3ccccc3C3=C2[C@H]2CC[C@@H]3C2)[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene?
The InChIKey is UGMVJZLTNJFRBG-ICTYYSPESA-N. The full InChI is InChI=1S/C26H24/c1-2-6-20-19(5-1)23-15-9-10-17(13-15)25(23)21-7-3-4-8-22(21)26-18-12-11-16(14-18)24(20)26/h1-8,15-18H,9-14H2/b23-19-,24-20-,25-21-,26-22-/t15-,16+,17+,18-.
What are the key properties of (1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene?
(1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene has a molecular weight of 336.48 g/mol, XLogP of 6.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene is sourced from PubChem (CID 139082581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).