dimethyl-[4-[phenyl-(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium

C25H27N2+ — CID 10647411

IUPACdimethyl-[4-[phenyl-(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium
SMILESC[N+](C)=C1C=CC(=C(c2ccccc2)c2ccc(N3CCCC3)cc2)C=C1
InChIInChI=1S/C25H27N2/c1-26(2)23-14-10-21(11-15-23)25(20-8-4-3-5-9-20)22-12-16-24(17-13-22)27-18-6-7-19-27/h3-5,8-17H,6-7,18-19H2,1-2H3/q+1
InChIKeyMGGVOESZAOQKFQ-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.93
Rot. Bonds3

About dimethyl-[4-[phenyl-(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium

dimethyl-[4-[phenyl-(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium (PubChem CID 10647411) has the molecular formula C25H27N2+ and a molecular weight of 355.51 g/mol. Its IUPAC name is dimethyl-[4-[phenyl-(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium.

Molecular Properties

Compound Namedimethyl-[4-[phenyl-(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium
PubChem CID10647411
Molecular FormulaC25H27N2+
Molecular Weight355.51 g/mol
Exact Mass355.22
IUPAC Namedimethyl-[4-[phenyl-(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium
SMILESC[N+](C)=C1C=CC(=C(c2ccccc2)c2ccc(N3CCCC3)cc2)C=C1
InChIInChI=1S/C25H27N2/c1-26(2)23-14-10-21(11-15-23)25(20-8-4-3-5-9-20)22-12-16-24(17-13-22)27-18-6-7-19-27/h3-5,8-17H,6-7,18-19H2,1-2H3/q+1
InChIKeyMGGVOESZAOQKFQ-UHFFFAOYSA-N
XLogP4.93
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
CID 11294
[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 3468
[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
CID 11057
[4-(aziridin-1-yl)phenyl]-phenylmethanone
CID 102156745
ethane;methanol;1-phenylpiperidine
CID 177175072
(4-benzoylphenyl)-(4-methylphenyl)-(4-pyrrolidin-1-ylphenyl)sulfanium
CID 171831003
1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine
CID 14343976
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
ethane;2-oxo-2-(4-pyrrolidin-1-ylphenyl)acetic acid
CID 144811360
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
diphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone
CID 152573672

Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-[phenyl-(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
The IUPAC name of dimethyl-[4-[phenyl-(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium (CID 10647411) is dimethyl-[4-[phenyl-(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium.
What is the SMILES notation for dimethyl-[4-[phenyl-(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
The canonical SMILES for dimethyl-[4-[phenyl-(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium is C[N+](C)=C1C=CC(=C(c2ccccc2)c2ccc(N3CCCC3)cc2)C=C1.
What is the InChIKey of dimethyl-[4-[phenyl-(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
The InChIKey is MGGVOESZAOQKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N2/c1-26(2)23-14-10-21(11-15-23)25(20-8-4-3-5-9-20)22-12-16-24(17-13-22)27-18-6-7-19-27/h3-5,8-17H,6-7,18-19H2,1-2H3/q+1.
What are the key properties of dimethyl-[4-[phenyl-(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
dimethyl-[4-[phenyl-(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium has a molecular weight of 355.51 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-[phenyl-(4-pyrrolidin-1-ylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium is sourced from PubChem (CID 10647411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).