hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,22,24-dodecaene

C26H18 — CID 58027814

IUPAChexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,22,24-dodecaene
SMILESC1=CC2C=Cc3c(c4c5ccccc5ccc4c4ccccc34)C2C=C1
InChIInChI=1S/C26H18/c1-3-9-19-17(7-1)13-15-23-21-11-5-6-12-22(21)24-16-14-18-8-2-4-10-20(18)26(24)25(19)23/h1-17,19H
InChIKeyNACPGBNGDNIGML-UHFFFAOYSA-N
MW330.43 g/mol
LogP7.00
Rot. Bonds

About hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,22,24-dodecaene

hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,22,24-dodecaene (PubChem CID 58027814) has the molecular formula C26H18 and a molecular weight of 330.43 g/mol. Its IUPAC name is hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,22,24-dodecaene.

Molecular Properties

Compound Namehexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,22,24-dodecaene
PubChem CID58027814
Molecular FormulaC26H18
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Namehexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,22,24-dodecaene
SMILESC1=CC2C=Cc3c(c4c5ccccc5ccc4c4ccccc34)C2C=C1
InChIInChI=1S/C26H18/c1-3-9-19-17(7-1)13-15-23-21-11-5-6-12-22(21)24-16-14-18-8-2-4-10-20(18)26(24)25(19)23/h1-17,19H
InChIKeyNACPGBNGDNIGML-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,22,24-dodecaene with MolForge

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Related Compounds

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CID 59760658
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heptacyclo[16.12.0.02,11.03,8.012,17.021,30.023,28]triaconta-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-pentadecaene
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1-[(18R)-13-methyl-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,19,21-nonaen-13-yl]piperidine
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Frequently Asked Questions

What is the IUPAC name of hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,22,24-dodecaene?
The IUPAC name of hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,22,24-dodecaene (CID 58027814) is hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,22,24-dodecaene.
What is the SMILES notation for hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,22,24-dodecaene?
The canonical SMILES for hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,22,24-dodecaene is C1=CC2C=Cc3c(c4c5ccccc5ccc4c4ccccc34)C2C=C1.
What is the InChIKey of hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,22,24-dodecaene?
The InChIKey is NACPGBNGDNIGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18/c1-3-9-19-17(7-1)13-15-23-21-11-5-6-12-22(21)24-16-14-18-8-2-4-10-20(18)26(24)25(19)23/h1-17,19H.
What are the key properties of hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,22,24-dodecaene?
hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,22,24-dodecaene has a molecular weight of 330.43 g/mol, XLogP of 7.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,22,24-dodecaene is sourced from PubChem (CID 58027814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).