N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide

C34H32N2 — CID 145212078

IUPACN'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide
SMILESC=N/C(=N\Cc1ccccc1)c1cccc(-c2cccc(-c3cccc(/C(=C/C=C\C)CC)c3)c2)c1
InChIInChI=1S/C34H32N2/c1-4-6-15-27(5-2)28-16-10-17-29(22-28)30-18-11-19-31(23-30)32-20-12-21-33(24-32)34(35-3)36-25-26-13-8-7-9-14-26/h4,6-24H,3,5,25H2,1-2H3/b6-4-,27-15+,36-34-
InChIKeyDBUWSEMMTHQYJT-IPBVREEASA-N
MW468.64 g/mol
LogP9.04
Rot. Bonds8

About N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide

N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide (PubChem CID 145212078) has the molecular formula C34H32N2 and a molecular weight of 468.64 g/mol. Its IUPAC name is N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide.

Molecular Properties

Compound NameN'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide
PubChem CID145212078
Molecular FormulaC34H32N2
Molecular Weight468.64 g/mol
Exact Mass468.26
IUPAC NameN'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide
SMILESC=N/C(=N\Cc1ccccc1)c1cccc(-c2cccc(-c3cccc(/C(=C/C=C\C)CC)c3)c2)c1
InChIInChI=1S/C34H32N2/c1-4-6-15-27(5-2)28-16-10-17-29(22-28)30-18-11-19-31(23-30)32-20-12-21-33(24-32)34(35-3)36-25-26-13-8-7-9-14-26/h4,6-24H,3,5,25H2,1-2H3/b6-4-,27-15+,36-34-
InChIKeyDBUWSEMMTHQYJT-IPBVREEASA-N
XLogP9.04
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 59.04
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide
CID 145237297
N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide
CID 142515914
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
CID 142293920
N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 142515878
N'-[N-benzyl-C-[(3E)-hexa-1,3,5-trien-3-yl]carbonimidoyl]-3-[3-(3-hydroxyphenyl)phenyl]-N-methylidenebenzenecarboximidamide
CID 142294364
N'-benzyl-3-phenylbenzenecarboximidamide
CID 142527130
N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide
CID 145105527
1-[3-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]phenyl]-3-[3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]phenyl]-5-phenylbenzene
CID 143388720
N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide
CID 171052549
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'-benzyl-3-[3,4-bis(ethenyl)naphthalen-1-yl]-N-methylidene-5-quinolin-5-ylbenzenecarboximidamide
CID 144775603
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide
CID 170137559

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide?
The IUPAC name of N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide (CID 145212078) is N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide.
What is the SMILES notation for N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide?
The canonical SMILES for N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide is C=N/C(=N\Cc1ccccc1)c1cccc(-c2cccc(-c3cccc(/C(=C/C=C\C)CC)c3)c2)c1.
What is the InChIKey of N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide?
The InChIKey is DBUWSEMMTHQYJT-IPBVREEASA-N. The full InChI is InChI=1S/C34H32N2/c1-4-6-15-27(5-2)28-16-10-17-29(22-28)30-18-11-19-31(23-30)32-20-12-21-33(24-32)34(35-3)36-25-26-13-8-7-9-14-26/h4,6-24H,3,5,25H2,1-2H3/b6-4-,27-15+,36-34-.
What are the key properties of N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide?
N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide has a molecular weight of 468.64 g/mol, XLogP of 9.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide is sourced from PubChem (CID 145212078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).