9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene

C54H42 — CID 161490396

IUPAC9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene
SMILESC=Cc1c2ccccc2cc2ccccc12.C=Cc1ccc2ccc3cccc4ccc1c2c34.C=Cc1cccc2ccccc12.C=Cc1ccccc1
InChIInChI=1S/C18H12.C16H12.C12H10.C8H8/c1-2-12-6-7-15-9-8-13-4-3-5-14-10-11-16(12)18(15)17(13)14;1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-2-8-6-4-3-5-7-8/h2-11H,1H2;2-11H,1H2;2-9H,1H2;2-7H,1H2
InChIKeyWFNLJTLOXCUXJK-UHFFFAOYSA-N
MW690.93 g/mol
LogP15.68
Rot. Bonds4

About 9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene

9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene (PubChem CID 161490396) has the molecular formula C54H42 and a molecular weight of 690.93 g/mol. Its IUPAC name is 9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene.

Molecular Properties

Compound Name9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene
PubChem CID161490396
Molecular FormulaC54H42
Molecular Weight690.93 g/mol
Exact Mass690.33
IUPAC Name9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene
SMILESC=Cc1c2ccccc2cc2ccccc12.C=Cc1ccc2ccc3cccc4ccc1c2c34.C=Cc1cccc2ccccc12.C=Cc1ccccc1
InChIInChI=1S/C18H12.C16H12.C12H10.C8H8/c1-2-12-6-7-15-9-8-13-4-3-5-14-10-11-16(12)18(15)17(13)14;1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-2-8-6-4-3-5-7-8/h2-11H,1H2;2-11H,1H2;2-9H,1H2;2-7H,1H2
InChIKeyWFNLJTLOXCUXJK-UHFFFAOYSA-N
XLogP15.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.93
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-ethenylnaphthalene;propane
CID 90732485
1-[(E)-2-anthracen-9-ylethenyl]pyrene
CID 102439773
perylene;styrene
CID 174665389
1-ethenylpicene
CID 174294618
2-ethenylhexahelicene
CID 71739612
1,2,8-tris(ethenyl)naphthalene
CID 23355506
(3-ethenylpyren-1-yl)methanol
CID 154309037
9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427
1-ethenylperylene
CID 22173667
acetic acid;ethane;bis(1-ethenylnaphthalene)
CID 91317530
1-ethenylnaphthalene;3-penta-1,4-dien-3-yloxypenta-1,4-diene
CID 67613878

Frequently Asked Questions

What is the IUPAC name of 9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene?
The IUPAC name of 9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene (CID 161490396) is 9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene.
What is the SMILES notation for 9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene?
The canonical SMILES for 9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene is C=Cc1c2ccccc2cc2ccccc12.C=Cc1ccc2ccc3cccc4ccc1c2c34.C=Cc1cccc2ccccc12.C=Cc1ccccc1.
What is the InChIKey of 9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene?
The InChIKey is WFNLJTLOXCUXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12.C16H12.C12H10.C8H8/c1-2-12-6-7-15-9-8-13-4-3-5-14-10-11-16(12)18(15)17(13)14;1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-2-8-6-4-3-5-7-8/h2-11H,1H2;2-11H,1H2;2-9H,1H2;2-7H,1H2.
What are the key properties of 9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene?
9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene has a molecular weight of 690.93 g/mol, XLogP of 15.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene is sourced from PubChem (CID 161490396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).