dimethyl-[4-[2-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]azanium

C19H20N+ — CID 101048208

IUPACdimethyl-[4-[2-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]azanium
SMILESC=CC=c1ccc(=CC=C2C=CC(=[N+](C)C)C=C2)cc1
InChIInChI=1S/C19H20N/c1-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(15-13-18)20(2)3/h4-15H,1H2,2-3H3/q+1/b16-5-,17-10+
InChIKeyZUGBWLHCPUWORQ-OHJQAEBJSA-N
MW262.38 g/mol
LogP2.20
Rot. Bonds2

About dimethyl-[4-[2-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]azanium

dimethyl-[4-[2-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]azanium (PubChem CID 101048208) has the molecular formula C19H20N+ and a molecular weight of 262.38 g/mol. Its IUPAC name is dimethyl-[4-[2-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]azanium.

Molecular Properties

Compound Namedimethyl-[4-[2-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]azanium
PubChem CID101048208
Molecular FormulaC19H20N+
Molecular Weight262.38 g/mol
Exact Mass262.16
IUPAC Namedimethyl-[4-[2-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]azanium
SMILESC=CC=c1ccc(=CC=C2C=CC(=[N+](C)C)C=C2)cc1
InChIInChI=1S/C19H20N/c1-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(15-13-18)20(2)3/h4-15H,1H2,2-3H3/q+1/b16-5-,17-10+
InChIKeyZUGBWLHCPUWORQ-OHJQAEBJSA-N
XLogP2.20
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-[2-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
The IUPAC name of dimethyl-[4-[2-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]azanium (CID 101048208) is dimethyl-[4-[2-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]azanium.
What is the SMILES notation for dimethyl-[4-[2-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
The canonical SMILES for dimethyl-[4-[2-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]azanium is C=CC=c1ccc(=CC=C2C=CC(=[N+](C)C)C=C2)cc1.
What is the InChIKey of dimethyl-[4-[2-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
The InChIKey is ZUGBWLHCPUWORQ-OHJQAEBJSA-N. The full InChI is InChI=1S/C19H20N/c1-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(15-13-18)20(2)3/h4-15H,1H2,2-3H3/q+1/b16-5-,17-10+.
What are the key properties of dimethyl-[4-[2-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
dimethyl-[4-[2-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]azanium has a molecular weight of 262.38 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-[2-(4-prop-2-enylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]azanium is sourced from PubChem (CID 101048208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).