2-phenylcyclohexa-1,3-dien-5-yne;yttrium

C12H6Y-2 — CID 164741490

IUPAC2-phenylcyclohexa-1,3-dien-5-yne;yttrium
SMILES[Y].c1[c-]c(-c2[c-]cccc2)ccc#1
InChIInChI=1S/C12H6.Y/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1,3-5,7,9H;/q-2;
InChIKeyPZADBOMPUCKWKC-UHFFFAOYSA-N
MW239.09 g/mol
LogP2.55
Rot. Bonds1

About 2-phenylcyclohexa-1,3-dien-5-yne;yttrium

2-phenylcyclohexa-1,3-dien-5-yne;yttrium (PubChem CID 164741490) has the molecular formula C12H6Y-2 and a molecular weight of 239.09 g/mol. Its IUPAC name is 2-phenylcyclohexa-1,3-dien-5-yne;yttrium.

Molecular Properties

Compound Name2-phenylcyclohexa-1,3-dien-5-yne;yttrium
PubChem CID164741490
Molecular FormulaC12H6Y-2
Molecular Weight239.09 g/mol
Exact Mass238.95
IUPAC Name2-phenylcyclohexa-1,3-dien-5-yne;yttrium
SMILES[Y].c1[c-]c(-c2[c-]cccc2)ccc#1
InChIInChI=1S/C12H6.Y/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1,3-5,7,9H;/q-2;
InChIKeyPZADBOMPUCKWKC-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.09
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 161119758
palladium(2+);phenylbenzene
CID 58471959
iridium;phenylbenzene
CID 58599975
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CID 153293138
1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)
CID 160503199
ethane;phenylbenzene;pyrimidine;1,3,5-triazine;(yttrium)
CID 159116160
chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)
CID 58599965
anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+))
CID 159198266
methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
CID 172624920
iridium;tris(2-phenylpyridine)
CID 23386734
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
1-ethyl-3-methylbenzene;phenylbenzene;yttrium
CID 161331275

Frequently Asked Questions

What is the IUPAC name of 2-phenylcyclohexa-1,3-dien-5-yne;yttrium?
The IUPAC name of 2-phenylcyclohexa-1,3-dien-5-yne;yttrium (CID 164741490) is 2-phenylcyclohexa-1,3-dien-5-yne;yttrium.
What is the SMILES notation for 2-phenylcyclohexa-1,3-dien-5-yne;yttrium?
The canonical SMILES for 2-phenylcyclohexa-1,3-dien-5-yne;yttrium is [Y].c1[c-]c(-c2[c-]cccc2)ccc#1.
What is the InChIKey of 2-phenylcyclohexa-1,3-dien-5-yne;yttrium?
The InChIKey is PZADBOMPUCKWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6.Y/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1,3-5,7,9H;/q-2;.
What are the key properties of 2-phenylcyclohexa-1,3-dien-5-yne;yttrium?
2-phenylcyclohexa-1,3-dien-5-yne;yttrium has a molecular weight of 239.09 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylcyclohexa-1,3-dien-5-yne;yttrium is sourced from PubChem (CID 164741490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).