methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)

C44H34Y2-4 — CID 172624920

IUPACmethane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
SMILESC.Cc1cccc2c3ccccc3c3ccccc3c12.[Y].[Y].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/C19H14.2C12H8.CH4.2Y/c1-13-7-6-12-18-16-9-3-2-8-14(16)15-10-4-5-11-17(15)19(13)18;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;;;/h2-12H,1H3;2*1-7,9H;1H4;;/q;2*-2;;;
InChIKeyBXDGGNYUNQLYLC-UHFFFAOYSA-N
MW740.57 g/mol
LogP11.99
Rot. Bonds2

About methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)

methane;1-methyltriphenylene;phenylbenzene;bis(yttrium) (PubChem CID 172624920) has the molecular formula C44H34Y2-4 and a molecular weight of 740.57 g/mol. Its IUPAC name is methane;1-methyltriphenylene;phenylbenzene;bis(yttrium).

Molecular Properties

Compound Namemethane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
PubChem CID172624920
Molecular FormulaC44H34Y2-4
Molecular Weight740.57 g/mol
Exact Mass740.08
IUPAC Namemethane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
SMILESC.Cc1cccc2c3ccccc3c3ccccc3c12.[Y].[Y].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/C19H14.2C12H8.CH4.2Y/c1-13-7-6-12-18-16-9-3-2-8-14(16)15-10-4-5-11-17(15)19(13)18;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;;;/h2-12H,1H3;2*1-7,9H;1H4;;/q;2*-2;;;
InChIKeyBXDGGNYUNQLYLC-UHFFFAOYSA-N
XLogP11.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.57
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;phenylbenzene;yttrium
CID 161119758
palladium(2+);phenylbenzene
CID 58471959
iridium;phenylbenzene
CID 58599975
1,5,12-trimethyltriphenylene
CID 102264978
4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium
CID 59915148
1-phenyl-4-[4-[4-(4-phenylbenzene-3,6-diid-1-yl)benzene-3,6-diid-1-yl]benzene-3,6-diid-1-yl]benzene-3,6-diide;pentakis(yttrium)
CID 153293138
ethane;6-methylchrysene;1-methyl-3-phenylbenzene-4-ide;yttrium
CID 158954289
1-ethyl-3-methylbenzene;phenylbenzene;yttrium
CID 161331275
chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)
CID 58599965
1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)
CID 160503199
4,5-dimethylphenanthro[9,10-b]pyridine
CID 140895992
ethane;phenylbenzene;pyrimidine;1,3,5-triazine;(yttrium)
CID 159116160

Frequently Asked Questions

What is the IUPAC name of methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)?
The IUPAC name of methane;1-methyltriphenylene;phenylbenzene;bis(yttrium) (CID 172624920) is methane;1-methyltriphenylene;phenylbenzene;bis(yttrium).
What is the SMILES notation for methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)?
The canonical SMILES for methane;1-methyltriphenylene;phenylbenzene;bis(yttrium) is C.Cc1cccc2c3ccccc3c3ccccc3c12.[Y].[Y].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1[c-]cccc1.
What is the InChIKey of methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)?
The InChIKey is BXDGGNYUNQLYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14.2C12H8.CH4.2Y/c1-13-7-6-12-18-16-9-3-2-8-14(16)15-10-4-5-11-17(15)19(13)18;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;;;/h2-12H,1H3;2*1-7,9H;1H4;;/q;2*-2;;;.
What are the key properties of methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)?
methane;1-methyltriphenylene;phenylbenzene;bis(yttrium) has a molecular weight of 740.57 g/mol, XLogP of 11.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyltriphenylene;phenylbenzene;bis(yttrium) is sourced from PubChem (CID 172624920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).