3-[(Z)-2-phenylethenyl]chrysene

C26H18 — CID 14241298

IUPAC3-[(Z)-2-phenylethenyl]chrysene
SMILESC(=C\c1ccc2ccc3c4ccccc4ccc3c2c1)\c1ccccc1
InChIInChI=1S/C26H18/c1-2-6-19(7-3-1)10-11-20-12-13-22-15-16-24-23-9-5-4-8-21(23)14-17-25(24)26(22)18-20/h1-18H/b11-10-
InChIKeyVICBHGRFQFBGOP-KHPPLWFESA-N
MW330.43 g/mol
LogP7.32
Rot. Bonds2

About 3-[(Z)-2-phenylethenyl]chrysene

3-[(Z)-2-phenylethenyl]chrysene (PubChem CID 14241298) has the molecular formula C26H18 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[(Z)-2-phenylethenyl]chrysene.

Molecular Properties

Compound Name3-[(Z)-2-phenylethenyl]chrysene
PubChem CID14241298
Molecular FormulaC26H18
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name3-[(Z)-2-phenylethenyl]chrysene
SMILESC(=C\c1ccc2ccc3c4ccccc4ccc3c2c1)\c1ccccc1
InChIInChI=1S/C26H18/c1-2-6-19(7-3-1)10-11-20-12-13-22-15-16-24-23-9-5-4-8-21(23)14-17-25(24)26(22)18-20/h1-18H/b11-10-
InChIKeyVICBHGRFQFBGOP-KHPPLWFESA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,11-bis(2-phenylethenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 76653841
N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine
CID 76589956
9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene
CID 76563716
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
(Z)-4-phenanthren-3-ylbut-3-en-2-one
CID 177398403
1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene
CID 173240821
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016
chrysene;iron
CID 157379031
2-[(E)-2-(5,6,7,8-tetrafluoronaphthalen-2-yl)ethenyl]benzo[c]phenanthrene
CID 132506941
2-[(E)-2-phenylethenyl]benzo[e][1]benzothiole
CID 13128318

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-phenylethenyl]chrysene?
The IUPAC name of 3-[(Z)-2-phenylethenyl]chrysene (CID 14241298) is 3-[(Z)-2-phenylethenyl]chrysene.
What is the SMILES notation for 3-[(Z)-2-phenylethenyl]chrysene?
The canonical SMILES for 3-[(Z)-2-phenylethenyl]chrysene is C(=C\c1ccc2ccc3c4ccccc4ccc3c2c1)\c1ccccc1.
What is the InChIKey of 3-[(Z)-2-phenylethenyl]chrysene?
The InChIKey is VICBHGRFQFBGOP-KHPPLWFESA-N. The full InChI is InChI=1S/C26H18/c1-2-6-19(7-3-1)10-11-20-12-13-22-15-16-24-23-9-5-4-8-21(23)14-17-25(24)26(22)18-20/h1-18H/b11-10-.
What are the key properties of 3-[(Z)-2-phenylethenyl]chrysene?
3-[(Z)-2-phenylethenyl]chrysene has a molecular weight of 330.43 g/mol, XLogP of 7.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-phenylethenyl]chrysene is sourced from PubChem (CID 14241298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).