N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide

C35H29N3 — CID 142293920

IUPACN'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1ccccc1)c1cccc(-c2cccc(-c3cccc(C)c3)c2)c1)c1ccccc1
InChIInChI=1S/C35H29N3/c1-26-12-9-17-29(22-26)30-18-10-19-31(23-30)32-20-11-21-33(24-32)35(37-25-27-13-5-3-6-14-27)38-34(36-2)28-15-7-4-8-16-28/h3-24H,2,25H2,1H3/b37-35-,38-34-
InChIKeyKNTMCAGAWXTSGM-FWWPQTSNSA-N
MW491.64 g/mol
LogP8.42
Rot. Bonds6

About N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide

N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide (PubChem CID 142293920) has the molecular formula C35H29N3 and a molecular weight of 491.64 g/mol. Its IUPAC name is N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
PubChem CID142293920
Molecular FormulaC35H29N3
Molecular Weight491.64 g/mol
Exact Mass491.24
IUPAC NameN'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1ccccc1)c1cccc(-c2cccc(-c3cccc(C)c3)c2)c1)c1ccccc1
InChIInChI=1S/C35H29N3/c1-26-12-9-17-29(22-26)30-18-10-19-31(23-30)32-20-11-21-33(24-32)35(37-25-27-13-5-3-6-14-27)38-34(36-2)28-15-7-4-8-16-28/h3-24H,2,25H2,1H3/b37-35-,38-34-
InChIKeyKNTMCAGAWXTSGM-FWWPQTSNSA-N
XLogP8.42
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 58.42
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

N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide
CID 170137559
N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide
CID 145212078
N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide
CID 144645775
N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane
CID 144831026
N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 146395700
N'-(N-benzyl-C-phenylcarbonimidoyl)-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-N-methylidene-5-(3-quinolin-7-ylphenyl)benzenecarboximidamide
CID 144775622
N'-[N-benzyl-C-[(3E)-hexa-1,3,5-trien-3-yl]carbonimidoyl]-3-[3-(3-hydroxyphenyl)phenyl]-N-methylidenebenzenecarboximidamide
CID 142294364
N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide
CID 138642968
N'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide
CID 138643801
N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-3-[(3E,5E)-7-(5-phenylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)hepta-3,5-dien-1-yn-3-yl]benzenecarboximidamide
CID 145073231
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide
CID 155002394
N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide
CID 171052549

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide?
The IUPAC name of N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide (CID 142293920) is N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide.
What is the SMILES notation for N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide?
The canonical SMILES for N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide is C=N/C(=N\C(=N/Cc1ccccc1)c1cccc(-c2cccc(-c3cccc(C)c3)c2)c1)c1ccccc1.
What is the InChIKey of N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide?
The InChIKey is KNTMCAGAWXTSGM-FWWPQTSNSA-N. The full InChI is InChI=1S/C35H29N3/c1-26-12-9-17-29(22-26)30-18-10-19-31(23-30)32-20-11-21-33(24-32)35(37-25-27-13-5-3-6-14-27)38-34(36-2)28-15-7-4-8-16-28/h3-24H,2,25H2,1H3/b37-35-,38-34-.
What are the key properties of N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide?
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide has a molecular weight of 491.64 g/mol, XLogP of 8.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide is sourced from PubChem (CID 142293920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).