2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene

C26H20 — CID 140590775

IUPAC2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene
SMILESCc1c(/C=C2/C=CC=CC2)ccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C26H20/c1-18-20(13-19-7-3-2-4-8-19)11-12-23-16-24-14-21-9-5-6-10-22(21)15-25(24)17-26(18)23/h2-7,9-17H,8H2,1H3/b19-13-
InChIKeyFRKBABWYULDLSR-UYRXBGFRSA-N
MW332.45 g/mol
LogP7.35
Rot. Bonds1

About 2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene

2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene (PubChem CID 140590775) has the molecular formula C26H20 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene.

Molecular Properties

Compound Name2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene
PubChem CID140590775
Molecular FormulaC26H20
Molecular Weight332.45 g/mol
Exact Mass332.16
IUPAC Name2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene
SMILESCc1c(/C=C2/C=CC=CC2)ccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C26H20/c1-18-20(13-19-7-3-2-4-8-19)11-12-23-16-24-14-21-9-5-6-10-22(21)15-25(24)17-26(18)23/h2-7,9-17H,8H2,1H3/b19-13-
InChIKeyFRKBABWYULDLSR-UYRXBGFRSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 57.35
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene?
The IUPAC name of 2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene (CID 140590775) is 2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene.
What is the SMILES notation for 2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene?
The canonical SMILES for 2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene is Cc1c(/C=C2/C=CC=CC2)ccc2cc3cc4ccccc4cc3cc12.
What is the InChIKey of 2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene?
The InChIKey is FRKBABWYULDLSR-UYRXBGFRSA-N. The full InChI is InChI=1S/C26H20/c1-18-20(13-19-7-3-2-4-8-19)11-12-23-16-24-14-21-9-5-6-10-22(21)15-25(24)17-26(18)23/h2-7,9-17H,8H2,1H3/b19-13-.
What are the key properties of 2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene?
2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene has a molecular weight of 332.45 g/mol, XLogP of 7.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene is sourced from PubChem (CID 140590775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).