9-[(E)-2-naphthalen-1-ylethenyl]anthracene

C52H36 — CID 139205427

IUPAC9-[(E)-2-naphthalen-1-ylethenyl]anthracene
SMILESC(=C/c1c2ccccc2cc2ccccc12)\c1cccc2ccccc12.C(=C/c1c2ccccc2cc2ccccc12)\c1cccc2ccccc12
InChIInChI=1S/2C26H18/c2*1-4-13-23-19(8-1)11-7-12-20(23)16-17-26-24-14-5-2-9-21(24)18-22-10-3-6-15-25(22)26/h2*1-18H/b2*17-16+
InChIKeyXKKVZROMSJIEJA-MGLWWPSNSA-N
MW660.86 g/mol
LogP14.63
Rot. Bonds4

About 9-[(E)-2-naphthalen-1-ylethenyl]anthracene

9-[(E)-2-naphthalen-1-ylethenyl]anthracene (PubChem CID 139205427) has the molecular formula C52H36 and a molecular weight of 660.86 g/mol. Its IUPAC name is 9-[(E)-2-naphthalen-1-ylethenyl]anthracene.

Molecular Properties

Compound Name9-[(E)-2-naphthalen-1-ylethenyl]anthracene
PubChem CID139205427
Molecular FormulaC52H36
Molecular Weight660.86 g/mol
Exact Mass660.28
IUPAC Name9-[(E)-2-naphthalen-1-ylethenyl]anthracene
SMILESC(=C/c1c2ccccc2cc2ccccc12)\c1cccc2ccccc12.C(=C/c1c2ccccc2cc2ccccc12)\c1cccc2ccccc12
InChIInChI=1S/2C26H18/c2*1-4-13-23-19(8-1)11-7-12-20(23)16-17-26-24-14-5-2-9-21(24)18-22-10-3-6-15-25(22)26/h2*1-18H/b2*17-16+
InChIKeyXKKVZROMSJIEJA-MGLWWPSNSA-N
XLogP14.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.86
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261
1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 139835020
1-[(E)-2-anthracen-9-ylethenyl]pyrene
CID 102439773
1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261
2-naphthalen-1-ylethenamine
CID 69243468
1-(2-bromoethenyl)naphthalene
CID 71403351
1-[2-[2-(2-phenylethenyl)phenyl]ethenyl]naphthalene
CID 71399192
3-anthracen-9-ylprop-2-en-1-amine
CID 169464466
9-(3-bromoprop-1-enyl)anthracene
CID 169476418
9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene
CID 10569477
1-ethenylnaphthalene;propane
CID 90732485
2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline
CID 87767218

Frequently Asked Questions

What is the IUPAC name of 9-[(E)-2-naphthalen-1-ylethenyl]anthracene?
The IUPAC name of 9-[(E)-2-naphthalen-1-ylethenyl]anthracene (CID 139205427) is 9-[(E)-2-naphthalen-1-ylethenyl]anthracene.
What is the SMILES notation for 9-[(E)-2-naphthalen-1-ylethenyl]anthracene?
The canonical SMILES for 9-[(E)-2-naphthalen-1-ylethenyl]anthracene is C(=C/c1c2ccccc2cc2ccccc12)\c1cccc2ccccc12.C(=C/c1c2ccccc2cc2ccccc12)\c1cccc2ccccc12.
What is the InChIKey of 9-[(E)-2-naphthalen-1-ylethenyl]anthracene?
The InChIKey is XKKVZROMSJIEJA-MGLWWPSNSA-N. The full InChI is InChI=1S/2C26H18/c2*1-4-13-23-19(8-1)11-7-12-20(23)16-17-26-24-14-5-2-9-21(24)18-22-10-3-6-15-25(22)26/h2*1-18H/b2*17-16+.
What are the key properties of 9-[(E)-2-naphthalen-1-ylethenyl]anthracene?
9-[(E)-2-naphthalen-1-ylethenyl]anthracene has a molecular weight of 660.86 g/mol, XLogP of 14.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E)-2-naphthalen-1-ylethenyl]anthracene is sourced from PubChem (CID 139205427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).