9-penta-1,4-diyn-3-ylidenexanthene

C18H10O — CID 11622860

IUPAC9-penta-1,4-diyn-3-ylidenexanthene
SMILESC#CC(C#C)=C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H10O/c1-3-13(4-2)18-14-9-5-7-11-16(14)19-17-12-8-6-10-15(17)18/h1-2,5-12H
InChIKeyDZGDSEUFRBLUKS-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.86
Rot. Bonds

About 9-penta-1,4-diyn-3-ylidenexanthene

9-penta-1,4-diyn-3-ylidenexanthene (PubChem CID 11622860) has the molecular formula C18H10O and a molecular weight of 242.28 g/mol. Its IUPAC name is 9-penta-1,4-diyn-3-ylidenexanthene.

Molecular Properties

Compound Name9-penta-1,4-diyn-3-ylidenexanthene
PubChem CID11622860
Molecular FormulaC18H10O
Molecular Weight242.28 g/mol
Exact Mass242.07
IUPAC Name9-penta-1,4-diyn-3-ylidenexanthene
SMILESC#CC(C#C)=C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H10O/c1-3-13(4-2)18-14-9-5-7-11-16(14)19-17-12-8-6-10-15(17)18/h1-2,5-12H
InChIKeyDZGDSEUFRBLUKS-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 139199451
9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene
CID 102008343
2-[5-(cyanomethyl)benzo[b][1]benzoxepin-6-yl]acetonitrile
CID 15598453
dimethyl 2-xanthen-9-ylidenepropanedioate
CID 15263203
9-[bis(4-methylphenyl)methylidene]xanthene
CID 15914606
diamino 2-xanthen-9-ylidenepropanedioate
CID 163748616
benzo[b][1,4]benzoxazepine-6-carbonitrile
CID 15629768
7-oxabicyclo[4.1.0]hepta-1,3,5-triene;sulfane
CID 174614993
10-ethynylphenoxazine
CID 146199321
14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-3,6-dicarboxamide
CID 19349318
1-prop-2-ynyl-4-xanthen-9-ylidenepiperidine
CID 141108468
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propanedinitrile
CID 13426325

Frequently Asked Questions

What is the IUPAC name of 9-penta-1,4-diyn-3-ylidenexanthene?
The IUPAC name of 9-penta-1,4-diyn-3-ylidenexanthene (CID 11622860) is 9-penta-1,4-diyn-3-ylidenexanthene.
What is the SMILES notation for 9-penta-1,4-diyn-3-ylidenexanthene?
The canonical SMILES for 9-penta-1,4-diyn-3-ylidenexanthene is C#CC(C#C)=C1c2ccccc2Oc2ccccc21.
What is the InChIKey of 9-penta-1,4-diyn-3-ylidenexanthene?
The InChIKey is DZGDSEUFRBLUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O/c1-3-13(4-2)18-14-9-5-7-11-16(14)19-17-12-8-6-10-15(17)18/h1-2,5-12H.
What are the key properties of 9-penta-1,4-diyn-3-ylidenexanthene?
9-penta-1,4-diyn-3-ylidenexanthene has a molecular weight of 242.28 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-penta-1,4-diyn-3-ylidenexanthene is sourced from PubChem (CID 11622860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).