ethene;picene

C24H18 — CID 175286520

IUPACethene;picene
SMILESC=C.c1ccc2c(c1)ccc1c2ccc2c3ccccc3ccc21
InChIInChI=1S/C22H14.C2H4/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21;1-2/h1-14H;1-2H2
InChIKeyZWEYUBDTEZNXMR-UHFFFAOYSA-N
MW306.41 g/mol
LogP7.10
Rot. Bonds

About ethene;picene

ethene;picene (PubChem CID 175286520) has the molecular formula C24H18 and a molecular weight of 306.41 g/mol. Its IUPAC name is ethene;picene.

Molecular Properties

Compound Nameethene;picene
PubChem CID175286520
Molecular FormulaC24H18
Molecular Weight306.41 g/mol
Exact Mass306.14
IUPAC Nameethene;picene
SMILESC=C.c1ccc2c(c1)ccc1c2ccc2c3ccccc3ccc21
InChIInChI=1S/C22H14.C2H4/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21;1-2/h1-14H;1-2H2
InChIKeyZWEYUBDTEZNXMR-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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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
benzo[c]phenanthrene;chrysene
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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
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
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phenanthrene;pyrene;triphenylene
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Frequently Asked Questions

What is the IUPAC name of ethene;picene?
The IUPAC name of ethene;picene (CID 175286520) is ethene;picene.
What is the SMILES notation for ethene;picene?
The canonical SMILES for ethene;picene is C=C.c1ccc2c(c1)ccc1c2ccc2c3ccccc3ccc21.
What is the InChIKey of ethene;picene?
The InChIKey is ZWEYUBDTEZNXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14.C2H4/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21;1-2/h1-14H;1-2H2.
What are the key properties of ethene;picene?
ethene;picene has a molecular weight of 306.41 g/mol, XLogP of 7.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;picene is sourced from PubChem (CID 175286520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).