2,3-bis(ethenyl)phenanthrene

C18H14 — CID 144756778

IUPAC2,3-bis(ethenyl)phenanthrene
SMILESC=Cc1cc2ccc3ccccc3c2cc1C=C
InChIInChI=1S/C18H14/c1-3-13-11-16-10-9-15-7-5-6-8-17(15)18(16)12-14(13)4-2/h3-12H,1-2H2
InChIKeyZBVHRJNOEXBIHV-UHFFFAOYSA-N
MW230.31 g/mol
LogP5.28
Rot. Bonds2

About 2,3-bis(ethenyl)phenanthrene

2,3-bis(ethenyl)phenanthrene (PubChem CID 144756778) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2,3-bis(ethenyl)phenanthrene.

Molecular Properties

Compound Name2,3-bis(ethenyl)phenanthrene
PubChem CID144756778
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name2,3-bis(ethenyl)phenanthrene
SMILESC=Cc1cc2ccc3ccccc3c2cc1C=C
InChIInChI=1S/C18H14/c1-3-13-11-16-10-9-15-7-5-6-8-17(15)18(16)12-14(13)4-2/h3-12H,1-2H2
InChIKeyZBVHRJNOEXBIHV-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.31
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

phenanthrene-2,3-dicarbaldehyde
CID 10466547
naphtho[1,2-b]phenanthrene
CID 5889
2,3-bis(ethenyl)naphthalene;ethane
CID 142152066
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene
CID 143742939
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
2,3-bis(ethenyl)-1-propylnaphthalene
CID 143956206
1-ethenylpicene
CID 174294618
CID 157090523
CID 157090523
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)phenanthrene?
The IUPAC name of 2,3-bis(ethenyl)phenanthrene (CID 144756778) is 2,3-bis(ethenyl)phenanthrene.
What is the SMILES notation for 2,3-bis(ethenyl)phenanthrene?
The canonical SMILES for 2,3-bis(ethenyl)phenanthrene is C=Cc1cc2ccc3ccccc3c2cc1C=C.
What is the InChIKey of 2,3-bis(ethenyl)phenanthrene?
The InChIKey is ZBVHRJNOEXBIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14/c1-3-13-11-16-10-9-15-7-5-6-8-17(15)18(16)12-14(13)4-2/h3-12H,1-2H2.
What are the key properties of 2,3-bis(ethenyl)phenanthrene?
2,3-bis(ethenyl)phenanthrene has a molecular weight of 230.31 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)phenanthrene is sourced from PubChem (CID 144756778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).