tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene

C19H14 — CID 143380612

IUPACtetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene
SMILESC1=Cc2cc3cc4ccccc4cc3cc2C=CC1
InChIInChI=1S/C19H14/c1-2-6-14-10-18-12-16-8-4-5-9-17(16)13-19(18)11-15(14)7-3-1/h2-13H,1H2
InChIKeyQRFSZGZYILCOTI-UHFFFAOYSA-N
MW242.32 g/mol
LogP5.42
Rot. Bonds

About tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene

tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene (PubChem CID 143380612) has the molecular formula C19H14 and a molecular weight of 242.32 g/mol. Its IUPAC name is tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene.

Molecular Properties

Compound Nametetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene
PubChem CID143380612
Molecular FormulaC19H14
Molecular Weight242.32 g/mol
Exact Mass242.11
IUPAC Nametetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene
SMILESC1=Cc2cc3cc4ccccc4cc3cc2C=CC1
InChIInChI=1S/C19H14/c1-2-6-14-10-18-12-16-8-4-5-9-17(16)13-19(18)11-15(14)7-3-1/h2-13H,1H2
InChIKeyQRFSZGZYILCOTI-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.32
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene with MolForge

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Related Compounds

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CID 54171203
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CID 144799391
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CID 91470616
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CID 158474185
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Frequently Asked Questions

What is the IUPAC name of tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene?
The IUPAC name of tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene (CID 143380612) is tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene.
What is the SMILES notation for tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene?
The canonical SMILES for tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene is C1=Cc2cc3cc4ccccc4cc3cc2C=CC1.
What is the InChIKey of tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene?
The InChIKey is QRFSZGZYILCOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14/c1-2-6-14-10-18-12-16-8-4-5-9-17(16)13-19(18)11-15(14)7-3-1/h2-13H,1H2.
What are the key properties of tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene?
tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene has a molecular weight of 242.32 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene is sourced from PubChem (CID 143380612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).