N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide

C27H22N4 — CID 53413479

IUPACN'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide
SMILESC(=Cc1ccc(/N=N/C(=NNc2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C27H22N4/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)29-31-27(24-12-6-2-7-13-24)30-28-25-14-8-3-9-15-25/h1-21,28H/b17-16?,30-27?,31-29+
InChIKeyXXCSDAXKIMCXEN-LRHGMACOSA-N
MW402.50 g/mol
LogP7.41
Rot. Bonds6

About N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide

N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide (PubChem CID 53413479) has the molecular formula C27H22N4 and a molecular weight of 402.50 g/mol. Its IUPAC name is N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide.

Molecular Properties

Compound NameN'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide
PubChem CID53413479
Molecular FormulaC27H22N4
Molecular Weight402.50 g/mol
Exact Mass402.18
IUPAC NameN'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide
SMILESC(=Cc1ccc(/N=N/C(=NNc2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C27H22N4/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)29-31-27(24-12-6-2-7-13-24)30-28-25-14-8-3-9-15-25/h1-21,28H/b17-16?,30-27?,31-29+
InChIKeyXXCSDAXKIMCXEN-LRHGMACOSA-N
XLogP7.41
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide
CID 171377884
N'-anilino-N-phenyliminopyridine-4-carboximidamide
CID 91732185
N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide
CID 6373583
N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide
CID 101459660
[4-(N'-anilino-N-phenyliminocarbamimidoyl)phenyl] acetate
CID 3841289
N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide
CID 6520538
N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide
CID 71393717
bis(N'-anilino-N-phenyliminocarbamimidothioate);mercury(2+)
CID 5489934
N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 6256661
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
N'-anilino-1,3-diphenyl-N-phenyliminotetrazol-1-ium-5-carboximidamide
CID 74031936
N,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline
CID 2750014

Frequently Asked Questions

What is the IUPAC name of N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide?
The IUPAC name of N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide (CID 53413479) is N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide.
What is the SMILES notation for N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide?
The canonical SMILES for N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide is C(=Cc1ccc(/N=N/C(=NNc2ccccc2)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide?
The InChIKey is XXCSDAXKIMCXEN-LRHGMACOSA-N. The full InChI is InChI=1S/C27H22N4/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)29-31-27(24-12-6-2-7-13-24)30-28-25-14-8-3-9-15-25/h1-21,28H/b17-16?,30-27?,31-29+.
What are the key properties of N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide?
N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide has a molecular weight of 402.50 g/mol, XLogP of 7.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide is sourced from PubChem (CID 53413479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).