[4-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium tetrafluoroborate

C24H25BF4O2 — CID 11510291

IUPAC[4-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium tetrafluoroborate
SMILESCOc1ccc(C(=C2C=CC(=[O+]C)C=C2)c2c(C)cc(C)cc2C)cc1.F[B-](F)(F)F
InChIInChI=1S/C24H25O2.BF4/c1-16-14-17(2)23(18(3)15-16)24(19-6-10-21(25-4)11-7-19)20-8-12-22(26-5)13-9-20;2-1(3,4)5/h6-15H,1-5H3;/q+1;-1
InChIKeyYVJUVLHDYBKFPK-UHFFFAOYSA-N
MW432.27 g/mol
LogP6.58
Rot. Bonds3

About [4-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium tetrafluoroborate

[4-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium tetrafluoroborate (PubChem CID 11510291) has the molecular formula C24H25BF4O2 and a molecular weight of 432.27 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium tetrafluoroborate.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium tetrafluoroborate
PubChem CID11510291
Molecular FormulaC24H25BF4O2
Molecular Weight432.27 g/mol
Exact Mass432.19
IUPAC Name[4-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium tetrafluoroborate
SMILESCOc1ccc(C(=C2C=CC(=[O+]C)C=C2)c2c(C)cc(C)cc2C)cc1.F[B-](F)(F)F
InChIInChI=1S/C24H25O2.BF4/c1-16-14-17(2)23(18(3)15-16)24(19-6-10-21(25-4)11-7-19)20-8-12-22(26-5)13-9-20;2-1(3,4)5/h6-15H,1-5H3;/q+1;-1
InChIKeyYVJUVLHDYBKFPK-UHFFFAOYSA-N
XLogP6.58
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.27
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 10890406
[4-[[8-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium
CID 101444235
1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018
2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone
CID 177439881
1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide
CID 1068398
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 10802865
lithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide
CID 141016363
1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 11218918
(4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane
CID 166511638
N-[(2,4-dimethylphenyl)methyl]-4-methoxybenzamide
CID 3289325

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium tetrafluoroborate?
The IUPAC name of [4-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium tetrafluoroborate (CID 11510291) is [4-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium tetrafluoroborate.
What is the SMILES notation for [4-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium tetrafluoroborate?
The canonical SMILES for [4-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium tetrafluoroborate is COc1ccc(C(=C2C=CC(=[O+]C)C=C2)c2c(C)cc(C)cc2C)cc1.F[B-](F)(F)F.
What is the InChIKey of [4-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium tetrafluoroborate?
The InChIKey is YVJUVLHDYBKFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25O2.BF4/c1-16-14-17(2)23(18(3)15-16)24(19-6-10-21(25-4)11-7-19)20-8-12-22(26-5)13-9-20;2-1(3,4)5/h6-15H,1-5H3;/q+1;-1.
What are the key properties of [4-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium tetrafluoroborate?
[4-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium tetrafluoroborate has a molecular weight of 432.27 g/mol, XLogP of 6.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium tetrafluoroborate is sourced from PubChem (CID 11510291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).