N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide

C31H28N2 — CID 155691013

IUPACN'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccccc1)c1ccccc1)c1cccc(-c2ccc(C)c(C)c2)c1
InChIInChI=1S/C31H28N2/c1-22-18-19-30(20-23(22)2)29-17-11-16-28(21-29)25(4)33-31(27-14-9-6-10-15-27)32-24(3)26-12-7-5-8-13-26/h5-21H,4H2,1-3H3/b32-24+,33-31-
InChIKeyGYJFNWDTOOHMQO-VUTRVNCBSA-N
MW428.58 g/mol
LogP7.90
Rot. Bonds5

About N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide

N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide (PubChem CID 155691013) has the molecular formula C31H28N2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
PubChem CID155691013
Molecular FormulaC31H28N2
Molecular Weight428.58 g/mol
Exact Mass428.23
IUPAC NameN'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccccc1)c1ccccc1)c1cccc(-c2ccc(C)c(C)c2)c1
InChIInChI=1S/C31H28N2/c1-22-18-19-30(20-23(22)2)29-17-11-16-28(21-29)25(4)33-31(27-14-9-6-10-15-27)32-24(3)26-12-7-5-8-13-26/h5-21H,4H2,1-3H3/b32-24+,33-31-
InChIKeyGYJFNWDTOOHMQO-VUTRVNCBSA-N
XLogP7.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-[(2R)-2-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carboxamidine
CID 3010979
6-[2-(1-Isopropyl-3,4-dihydro-isoquinolin-6-yl)-cyclopropyl]-naphthalene-2-carboxamidine
CID 10110404
6-(2-(1-Isopropyl-3,4-dihydroisoquinolin-7-yl)cyclopropyl)-2-naphthimidamide
CID 10126451
N'-benzylnaphthalene-2-carboximidamide
CID 20706473
6-[2-((S)-1-Isopropyl-3,4-dihydro-isoquinolin-7-yl)-cyclopropyl]-naphthalene-2-carboxamidine
CID 44392382
delta1,1'-Bi-1H-isoindole, 3,3'-diphenyl-
CID 5379637
2',5'-Bis(4-methylphenyl)spiro[fluorene-9,4'-imidazole]
CID 11211692
2,4-dimethyl-5,8-diphenyl-7H-benzo[d][2]benzazepine
CID 85614091
4-(3,5-dimethylphenyl)-7-phenyl-5H-benzo[d][2]benzazepine
CID 85614092
3-methyl-5,8-diphenyl-7H-benzo[d][2]benzazepine
CID 85614103
4-(4-methylphenyl)-7-phenyl-5H-benzo[d][2]benzazepine
CID 85614104
3,4,9-triphenyl-1H-2-benzazepine
CID 86185792

Frequently Asked Questions

What is the IUPAC name of N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide?
The IUPAC name of N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide (CID 155691013) is N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide.
What is the SMILES notation for N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide?
The canonical SMILES for N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide is C=C(/N=C(\N=C(/C)c1ccccc1)c1ccccc1)c1cccc(-c2ccc(C)c(C)c2)c1.
What is the InChIKey of N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide?
The InChIKey is GYJFNWDTOOHMQO-VUTRVNCBSA-N. The full InChI is InChI=1S/C31H28N2/c1-22-18-19-30(20-23(22)2)29-17-11-16-28(21-29)25(4)33-31(27-14-9-6-10-15-27)32-24(3)26-12-7-5-8-13-26/h5-21H,4H2,1-3H3/b32-24+,33-31-.
What are the key properties of N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide?
N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide has a molecular weight of 428.58 g/mol, XLogP of 7.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide is sourced from PubChem (CID 155691013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).