(2Z)-2-methyl-N'-[4-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(4-phenylphenyl)but-1-enyl]phenyl]phenyl]-3-(2-methylphenyl)penta-2,4-dienimidamide

C48H43N3 — CID 145334965

IUPAC(2Z)-2-methyl-N'-[4-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(4-phenylphenyl)but-1-enyl]phenyl]phenyl]-3-(2-methylphenyl)penta-2,4-dienimidamide
SMILESC=C/C(=C(C)/C(N)=N/c1ccc(-c2ccc(/C(=C/C(C)(c3ccccc3)c3ccc(-c4ccccc4)cc3)N=C)cc2)cc1)c1ccccc1C
InChIInChI=1S/C48H43N3/c1-6-44(45-20-14-13-15-34(45)2)35(3)47(49)51-43-31-27-39(28-32-43)37-21-23-40(24-22-37)46(50-5)33-48(4,41-18-11-8-12-19-41)42-29-25-38(26-30-42)36-16-9-7-10-17-36/h6-33H,1,5H2,2-4H3,(H2,49,51)/b44-35-,46-33-
InChIKeyWYAXXIQOOZGOPV-QRJVEYPFSA-N
MW661.89 g/mol
LogP12.03
Rot. Bonds11

About (2Z)-2-methyl-N'-[4-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(4-phenylphenyl)but-1-enyl]phenyl]phenyl]-3-(2-methylphenyl)penta-2,4-dienimidamide

(2Z)-2-methyl-N'-[4-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(4-phenylphenyl)but-1-enyl]phenyl]phenyl]-3-(2-methylphenyl)penta-2,4-dienimidamide (PubChem CID 145334965) has the molecular formula C48H43N3 and a molecular weight of 661.89 g/mol. Its IUPAC name is (2Z)-2-methyl-N'-[4-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(4-phenylphenyl)but-1-enyl]phenyl]phenyl]-3-(2-methylphenyl)penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-2-methyl-N'-[4-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(4-phenylphenyl)but-1-enyl]phenyl]phenyl]-3-(2-methylphenyl)penta-2,4-dienimidamide
PubChem CID145334965
Molecular FormulaC48H43N3
Molecular Weight661.89 g/mol
Exact Mass661.35
IUPAC Name(2Z)-2-methyl-N'-[4-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(4-phenylphenyl)but-1-enyl]phenyl]phenyl]-3-(2-methylphenyl)penta-2,4-dienimidamide
SMILESC=C/C(=C(C)/C(N)=N/c1ccc(-c2ccc(/C(=C/C(C)(c3ccccc3)c3ccc(-c4ccccc4)cc3)N=C)cc2)cc1)c1ccccc1C
InChIInChI=1S/C48H43N3/c1-6-44(45-20-14-13-15-34(45)2)35(3)47(49)51-43-31-27-39(28-32-43)37-21-23-40(24-22-37)46(50-5)33-48(4,41-18-11-8-12-19-41)42-29-25-38(26-30-42)36-16-9-7-10-17-36/h6-33H,1,5H2,2-4H3,(H2,49,51)/b44-35-,46-33-
InChIKeyWYAXXIQOOZGOPV-QRJVEYPFSA-N
XLogP12.03
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.89
LogP ≤ 512.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze (2Z)-2-methyl-N'-[4-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(4-phenylphenyl)but-1-enyl]phenyl]phenyl]-3-(2-methylphenyl)penta-2,4-dienimidamide with MolForge

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Related Compounds

N-(4-phenylphenyl)but-3-en-2-imine
CID 123871939
N'-(4-acetylphenyl)-2-methylbenzenecarboximidamide
CID 102311054
N-[5-[4-[(Z)-3-[4-[7,8-bis(ethenyl)phenanthren-2-yl]phenyl]-1-(methylideneamino)-3-phenylbut-1-enyl]phenyl]-2-(methylamino)phenyl]-N-methylhydroxylamine
CID 167485040
(Z)-1-(2-methylphenyl)prop-1-en-1-amine
CID 126678655
(2-methylphenyl)-(4-phenylphenyl)methanethione
CID 134917705
4-phenylbenzoic acid;prop-2-enamide
CID 68663596
2-Methyl-seleno-benzanilide
CID 21155417
2-[4-(2-acetylphenyl)phenyl]-N'-(4-chlorophenyl)prop-2-enimidamide
CID 174500581
N-[(2E)-2-methyl-3-(2-methylphenyl)-1-[3-(4-pyridin-4-ylphenyl)-5-triphenylen-2-ylphenyl]penta-2,4-dienylidene]benzenecarboximidamide
CID 154949996
2-N,3-N-bis(4-phenylphenyl)butane-2,3-diimine;dichloronickel
CID 140654060
(Z)-3-(2-methylphenyl)-N'-[4-(trifluoromethoxy)phenyl]but-2-enimidamide
CID 154951198
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11300013

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-methyl-N'-[4-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(4-phenylphenyl)but-1-enyl]phenyl]phenyl]-3-(2-methylphenyl)penta-2,4-dienimidamide?
The IUPAC name of (2Z)-2-methyl-N'-[4-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(4-phenylphenyl)but-1-enyl]phenyl]phenyl]-3-(2-methylphenyl)penta-2,4-dienimidamide (CID 145334965) is (2Z)-2-methyl-N'-[4-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(4-phenylphenyl)but-1-enyl]phenyl]phenyl]-3-(2-methylphenyl)penta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-2-methyl-N'-[4-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(4-phenylphenyl)but-1-enyl]phenyl]phenyl]-3-(2-methylphenyl)penta-2,4-dienimidamide?
The canonical SMILES for (2Z)-2-methyl-N'-[4-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(4-phenylphenyl)but-1-enyl]phenyl]phenyl]-3-(2-methylphenyl)penta-2,4-dienimidamide is C=C/C(=C(C)/C(N)=N/c1ccc(-c2ccc(/C(=C/C(C)(c3ccccc3)c3ccc(-c4ccccc4)cc3)N=C)cc2)cc1)c1ccccc1C.
What is the InChIKey of (2Z)-2-methyl-N'-[4-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(4-phenylphenyl)but-1-enyl]phenyl]phenyl]-3-(2-methylphenyl)penta-2,4-dienimidamide?
The InChIKey is WYAXXIQOOZGOPV-QRJVEYPFSA-N. The full InChI is InChI=1S/C48H43N3/c1-6-44(45-20-14-13-15-34(45)2)35(3)47(49)51-43-31-27-39(28-32-43)37-21-23-40(24-22-37)46(50-5)33-48(4,41-18-11-8-12-19-41)42-29-25-38(26-30-42)36-16-9-7-10-17-36/h6-33H,1,5H2,2-4H3,(H2,49,51)/b44-35-,46-33-.
What are the key properties of (2Z)-2-methyl-N'-[4-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(4-phenylphenyl)but-1-enyl]phenyl]phenyl]-3-(2-methylphenyl)penta-2,4-dienimidamide?
(2Z)-2-methyl-N'-[4-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(4-phenylphenyl)but-1-enyl]phenyl]phenyl]-3-(2-methylphenyl)penta-2,4-dienimidamide has a molecular weight of 661.89 g/mol, XLogP of 12.03, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methyl-N'-[4-[4-[(Z)-1-(methylideneamino)-3-phenyl-3-(4-phenylphenyl)but-1-enyl]phenyl]phenyl]-3-(2-methylphenyl)penta-2,4-dienimidamide is sourced from PubChem (CID 145334965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).