9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene

C27H20 — CID 10569477

IUPAC9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene
SMILESC(=C/c1c2ccccc2cc2ccccc12)\Cc1cccc2ccccc12
InChIInChI=1S/C27H20/c1-4-15-24-20(9-1)12-7-13-21(24)14-8-18-27-25-16-5-2-10-22(25)19-23-11-3-6-17-26(23)27/h1-13,15-19H,14H2/b18-8+
InChIKeyMNJJDHZOLRPKKR-QGMBQPNBSA-N
MW344.46 g/mol
LogP7.40
Rot. Bonds3

About 9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene

9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene (PubChem CID 10569477) has the molecular formula C27H20 and a molecular weight of 344.46 g/mol. Its IUPAC name is 9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene.

Molecular Properties

Compound Name9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene
PubChem CID10569477
Molecular FormulaC27H20
Molecular Weight344.46 g/mol
Exact Mass344.16
IUPAC Name9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene
SMILESC(=C/c1c2ccccc2cc2ccccc12)\Cc1cccc2ccccc12
InChIInChI=1S/C27H20/c1-4-15-24-20(9-1)12-7-13-21(24)14-8-18-27-25-16-5-2-10-22(25)19-23-11-3-6-17-26(23)27/h1-13,15-19H,14H2/b18-8+
InChIKeyMNJJDHZOLRPKKR-QGMBQPNBSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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9-(4-bromobut-1-enyl)anthracene
CID 170498426
1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene
CID 142146166
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427
9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261
4-anthracen-9-ylbut-3-enamide
CID 170798903
1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol
CID 102214824
formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol
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1-prop-2-enyltetracene
CID 162689403

Frequently Asked Questions

What is the IUPAC name of 9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene?
The IUPAC name of 9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene (CID 10569477) is 9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene.
What is the SMILES notation for 9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene?
The canonical SMILES for 9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene is C(=C/c1c2ccccc2cc2ccccc12)\Cc1cccc2ccccc12.
What is the InChIKey of 9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene?
The InChIKey is MNJJDHZOLRPKKR-QGMBQPNBSA-N. The full InChI is InChI=1S/C27H20/c1-4-15-24-20(9-1)12-7-13-21(24)14-8-18-27-25-16-5-2-10-22(25)19-23-11-3-6-17-26(23)27/h1-13,15-19H,14H2/b18-8+.
What are the key properties of 9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene?
9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene has a molecular weight of 344.46 g/mol, XLogP of 7.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene is sourced from PubChem (CID 10569477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).