N'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide

C28H26N2 — CID 145237297

IUPACN'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide
SMILESC=C/C(=C\C=C/C)c1cc(C/N=C(\N=C)c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C28H26N2/c1-4-6-13-23(5-2)26-18-22(19-27(20-26)24-14-9-7-10-15-24)21-30-28(29-3)25-16-11-8-12-17-25/h4-20H,2-3,21H2,1H3/b6-4-,23-13+,30-28-
InChIKeyVBUOKQYDMABLLQ-YMVUKQGOSA-N
MW390.53 g/mol
LogP7.15
Rot. Bonds7

About N'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide

N'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide (PubChem CID 145237297) has the molecular formula C28H26N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide.

Molecular Properties

Compound NameN'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide
PubChem CID145237297
Molecular FormulaC28H26N2
Molecular Weight390.53 g/mol
Exact Mass390.21
IUPAC NameN'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide
SMILESC=C/C(=C\C=C/C)c1cc(C/N=C(\N=C)c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C28H26N2/c1-4-6-13-23(5-2)26-18-22(19-27(20-26)24-14-9-7-10-15-24)21-30-28(29-3)25-16-11-8-12-17-25/h4-20H,2-3,21H2,1H3/b6-4-,23-13+,30-28-
InChIKeyVBUOKQYDMABLLQ-YMVUKQGOSA-N
XLogP7.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 57.15
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'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide
CID 142515914
N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide
CID 145212078
N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 142515878
2-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]pyridine
CID 121313286
(Z)-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N'-methylidene-N-[(3-naphthalen-1-ylphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]prop-2-ene-1,3-diimine;prop-1-ene
CID 145302581
[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;2-methyl-4-phenyl-1H-diazete
CID 143422524
ethane;4-[(E)-hex-2-en-3-yl]-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide;N-methyl-4-[3-[(methylideneamino)methyl]-5-[(1E,3Z)-1-(prop-2-enylideneamino)octa-1,3,7-trien-2-yl]phenyl]aniline
CID 144772409
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
CID 142293920
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'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 137414898
1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane
CID 143743025
3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N,N-dimethylaniline
CID 145264859

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide?
The IUPAC name of N'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide (CID 145237297) is N'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide.
What is the SMILES notation for N'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide?
The canonical SMILES for N'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide is C=C/C(=C\C=C/C)c1cc(C/N=C(\N=C)c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of N'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide?
The InChIKey is VBUOKQYDMABLLQ-YMVUKQGOSA-N. The full InChI is InChI=1S/C28H26N2/c1-4-6-13-23(5-2)26-18-22(19-27(20-26)24-14-9-7-10-15-24)21-30-28(29-3)25-16-11-8-12-17-25/h4-20H,2-3,21H2,1H3/b6-4-,23-13+,30-28-.
What are the key properties of N'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide?
N'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide has a molecular weight of 390.53 g/mol, XLogP of 7.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide is sourced from PubChem (CID 145237297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).