3,4,5,6-tetrakis(ethenyl)phenanthrene

C22H18 — CID 143743555

IUPAC3,4,5,6-tetrakis(ethenyl)phenanthrene
SMILESC=Cc1ccc2ccc3ccc(C=C)c(C=C)c3c2c1C=C
InChIInChI=1S/C22H18/c1-5-15-9-11-17-13-14-18-12-10-16(6-2)20(8-4)22(18)21(17)19(15)7-3/h5-14H,1-4H2
InChIKeyIKSXBKWHOMQTKW-UHFFFAOYSA-N
MW282.39 g/mol
LogP6.57
Rot. Bonds4

About 3,4,5,6-tetrakis(ethenyl)phenanthrene

3,4,5,6-tetrakis(ethenyl)phenanthrene (PubChem CID 143743555) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3,4,5,6-tetrakis(ethenyl)phenanthrene.

Molecular Properties

Compound Name3,4,5,6-tetrakis(ethenyl)phenanthrene
PubChem CID143743555
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Name3,4,5,6-tetrakis(ethenyl)phenanthrene
SMILESC=Cc1ccc2ccc3ccc(C=C)c(C=C)c3c2c1C=C
InChIInChI=1S/C22H18/c1-5-15-9-11-17-13-14-18-12-10-16(6-2)20(8-4)22(18)21(17)19(15)7-3/h5-14H,1-4H2
InChIKeyIKSXBKWHOMQTKW-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 56.57
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

1,2,8-tris(ethenyl)naphthalene
CID 23355506
2-chloro-1,3,4-tris(ethenyl)benzene
CID 21434290
ethane;2-ethenylnaphthalene-1-carbaldehyde
CID 91162051
1-ethenylperylene
CID 22173667
1,2-bis(ethenyl)-7-phenylnaphthalene
CID 145141222
1,2-bis(ethenyl)-6-methylnaphthalene;ethane;propane
CID 145447193
2-bromo-3,4-bis(ethenyl)aniline
CID 166695071
3-chloro-1,2-bis(ethenyl)-4-methylbenzene
CID 156751029
1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene
CID 67702491
3-bromo-1,2-bis(ethenyl)-4-nitrobenzene
CID 145442367
6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine
CID 170405383
2,3-bis(ethenyl)aniline
CID 22666736

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrakis(ethenyl)phenanthrene?
The IUPAC name of 3,4,5,6-tetrakis(ethenyl)phenanthrene (CID 143743555) is 3,4,5,6-tetrakis(ethenyl)phenanthrene.
What is the SMILES notation for 3,4,5,6-tetrakis(ethenyl)phenanthrene?
The canonical SMILES for 3,4,5,6-tetrakis(ethenyl)phenanthrene is C=Cc1ccc2ccc3ccc(C=C)c(C=C)c3c2c1C=C.
What is the InChIKey of 3,4,5,6-tetrakis(ethenyl)phenanthrene?
The InChIKey is IKSXBKWHOMQTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18/c1-5-15-9-11-17-13-14-18-12-10-16(6-2)20(8-4)22(18)21(17)19(15)7-3/h5-14H,1-4H2.
What are the key properties of 3,4,5,6-tetrakis(ethenyl)phenanthrene?
3,4,5,6-tetrakis(ethenyl)phenanthrene has a molecular weight of 282.39 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrakis(ethenyl)phenanthrene is sourced from PubChem (CID 143743555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).