dimethyl-[4-[5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium

C32H30N+ — CID 58900957

IUPACdimethyl-[4-[5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium
SMILESCc1ccc(C(=CC=CC(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H30N/c1-25-17-19-28(20-18-25)31(26-11-6-4-7-12-26)15-10-16-32(27-13-8-5-9-14-27)29-21-23-30(24-22-29)33(2)3/h4-24H,1-3H3/q+1
InChIKeyOAQDAPNMFGJLON-UHFFFAOYSA-N
MW428.60 g/mol
LogP7.28
Rot. Bonds5

About dimethyl-[4-[5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium

dimethyl-[4-[5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium (PubChem CID 58900957) has the molecular formula C32H30N+ and a molecular weight of 428.60 g/mol. Its IUPAC name is dimethyl-[4-[5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium.

Molecular Properties

Compound Namedimethyl-[4-[5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium
PubChem CID58900957
Molecular FormulaC32H30N+
Molecular Weight428.60 g/mol
Exact Mass428.24
IUPAC Namedimethyl-[4-[5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium
SMILESCc1ccc(C(=CC=CC(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H30N/c1-25-17-19-28(20-18-25)31(26-11-6-4-7-12-26)15-10-16-32(27-13-8-5-9-14-27)29-21-23-30(24-22-29)33(2)3/h4-24H,1-3H3/q+1
InChIKeyOAQDAPNMFGJLON-UHFFFAOYSA-N
XLogP7.28
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.60
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[(2E,4E)-5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-imine
CID 20686379
diethyl-[4-[1-(4-methoxyphenyl)-5,5-bis(4-methylphenyl)penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium
CID 58427612
[4-[(2E,4E)-5-(4-aminophenyl)-1,5-bis[4-(diethylamino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 87900673
[4-[(2E,4E)-5-[4-(dimethylamino)phenyl]-5-phenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 22952645
1,4-bis[(1E,3E)-1-(4-methylphenyl)-4-phenylbuta-1,3-dienyl]benzene
CID 11730962
dibutyl-[4-[(2E,4Z)-5-[4-(dibutylamino)phenyl]-1,5-bis[4-(N-(4-methoxyphenyl)anilino)phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium
CID 21360375
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
4-[(2E)-5,5-bis[4-(diethylamino)phenyl]-1-(4-iminocyclohexa-2,5-dien-1-ylidene)penta-2,4-dienyl]-N,N-diethylaniline
CID 88906596
[4-[1,5-bis[4-(diethylamino)phenyl]-5-[4-[ethyl(propyl)amino]phenyl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]-ethyl-propylazanium
CID 89097995
1-[(Z)-4-bromo-3,3,4,4-tetrafluoro-1-phenylbut-1-enyl]-4-methylbenzene
CID 132943042
[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
CID 11294
(2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid
CID 87598995

Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-[5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
The IUPAC name of dimethyl-[4-[5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium (CID 58900957) is dimethyl-[4-[5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium.
What is the SMILES notation for dimethyl-[4-[5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
The canonical SMILES for dimethyl-[4-[5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium is Cc1ccc(C(=CC=CC(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dimethyl-[4-[5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
The InChIKey is OAQDAPNMFGJLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N/c1-25-17-19-28(20-18-25)31(26-11-6-4-7-12-26)15-10-16-32(27-13-8-5-9-14-27)29-21-23-30(24-22-29)33(2)3/h4-24H,1-3H3/q+1.
What are the key properties of dimethyl-[4-[5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
dimethyl-[4-[5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium has a molecular weight of 428.60 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-[5-(4-methylphenyl)-1,5-diphenylpenta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium is sourced from PubChem (CID 58900957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).