cyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+)

C44H37NW — CID 159781760

IUPACcyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+)
SMILESC1=CCC=C1.C1=Cc2ccccc2C1.[H]/[C-]=C/c1[c-]cccc1.[W+2].c1ccc2c(c1)ccc1ccccc12.c1ccc2c[nH]cc2c1
InChIInChI=1S/C14H10.C9H8.C8H7N.C8H6.C5H6.W/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;/h1-10H;1-6H,7H2;1-6,9H;1-6H;1-4H,5H2;/q;;;-2;;+2
InChIKeyUXENIWDNWIQSGY-UHFFFAOYSA-N
MW763.63 g/mol
LogP11.85
Rot. Bonds1

About cyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+)

cyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+) (PubChem CID 159781760) has the molecular formula C44H37NW and a molecular weight of 763.63 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+)
PubChem CID159781760
Molecular FormulaC44H37NW
Molecular Weight763.63 g/mol
Exact Mass763.24
IUPAC Namecyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+)
SMILESC1=CCC=C1.C1=Cc2ccccc2C1.[H]/[C-]=C/c1[c-]cccc1.[W+2].c1ccc2c(c1)ccc1ccccc12.c1ccc2c[nH]cc2c1
InChIInChI=1S/C14H10.C9H8.C8H7N.C8H6.C5H6.W/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;/h1-10H;1-6H,7H2;1-6,9H;1-6H;1-4H,5H2;/q;;;-2;;+2
InChIKeyUXENIWDNWIQSGY-UHFFFAOYSA-N
XLogP11.85
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.63
LogP ≤ 511.85
H-Bond Donors ≤ 51
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

ethenylbenzene;2H-isoindole;tungsten(2+)
CID 161337347
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CID 166041879
CID 166041879
cyclopenta-1,3-diene;phenanthrene
CID 159923928
1-ethenylnaphthalene;1H-indene
CID 174801428
1H-indene;methane
CID 157370172
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CID 175216856
1H-indene;methane
CID 22114429
(9Z)-5,8-dihydrobenzo[8]annulene
CID 173122574
cumene;cyclopenta-1,3-diene;ethane;1H-indene;propane;pyridine
CID 162104834
dimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium
CID 161426906
hydrogen peroxide;1H-indene;hydrobromide
CID 158452751

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+)?
The IUPAC name of cyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+) (CID 159781760) is cyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+).
What is the SMILES notation for cyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+)?
The canonical SMILES for cyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+) is C1=CCC=C1.C1=Cc2ccccc2C1.[H]/[C-]=C/c1[c-]cccc1.[W+2].c1ccc2c(c1)ccc1ccccc12.c1ccc2c[nH]cc2c1.
What is the InChIKey of cyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+)?
The InChIKey is UXENIWDNWIQSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C9H8.C8H7N.C8H6.C5H6.W/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;/h1-10H;1-6H,7H2;1-6,9H;1-6H;1-4H,5H2;/q;;;-2;;+2.
What are the key properties of cyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+)?
cyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+) has a molecular weight of 763.63 g/mol, XLogP of 11.85, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+) is sourced from PubChem (CID 159781760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).