(Z)-1-[4-[1-[2-[4-[(2-benzylhydrazinyl)methyl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-phenylprop-1-en-1-amine

C49H41N3 — CID 145327197

IUPAC(Z)-1-[4-[1-[2-[4-[(2-benzylhydrazinyl)methyl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-phenylprop-1-en-1-amine
SMILESN/C(=C\Cc1ccccc1)c1ccc(-c2ccc3ccccc3c2-c2c(-c3ccc(CNNCc4ccccc4)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C49H41N3/c50-47(32-21-35-11-3-1-4-12-35)42-26-24-41(25-27-42)46-31-29-39-16-8-10-18-44(39)49(46)48-43-17-9-7-15-38(43)28-30-45(48)40-22-19-37(20-23-40)34-52-51-33-36-13-5-2-6-14-36/h1-20,22-32,51-52H,21,33-34,50H2/b47-32-
InChIKeyIYXWDSNMIUAXKF-WPGMWTCCSA-N
MW671.89 g/mol
LogP11.33
Rot. Bonds11

About (Z)-1-[4-[1-[2-[4-[(2-benzylhydrazinyl)methyl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-phenylprop-1-en-1-amine

(Z)-1-[4-[1-[2-[4-[(2-benzylhydrazinyl)methyl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-phenylprop-1-en-1-amine (PubChem CID 145327197) has the molecular formula C49H41N3 and a molecular weight of 671.89 g/mol. Its IUPAC name is (Z)-1-[4-[1-[2-[4-[(2-benzylhydrazinyl)methyl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-phenylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-[4-[1-[2-[4-[(2-benzylhydrazinyl)methyl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-phenylprop-1-en-1-amine
PubChem CID145327197
Molecular FormulaC49H41N3
Molecular Weight671.89 g/mol
Exact Mass671.33
IUPAC Name(Z)-1-[4-[1-[2-[4-[(2-benzylhydrazinyl)methyl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-phenylprop-1-en-1-amine
SMILESN/C(=C\Cc1ccccc1)c1ccc(-c2ccc3ccccc3c2-c2c(-c3ccc(CNNCc4ccccc4)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C49H41N3/c50-47(32-21-35-11-3-1-4-12-35)42-26-24-41(25-27-42)46-31-29-39-16-8-10-18-44(39)49(46)48-43-17-9-7-15-38(43)28-30-45(48)40-22-19-37(20-23-40)34-52-51-33-36-13-5-2-6-14-36/h1-20,22-32,51-52H,21,33-34,50H2/b47-32-
InChIKeyIYXWDSNMIUAXKF-WPGMWTCCSA-N
XLogP11.33
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.89
LogP ≤ 511.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine
CID 142425192
(1Z,3E)-3-[4-[1-(1,2-diphenylethyl)naphthalen-2-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine
CID 146647346
(Z)-1-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine
CID 145327246
benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine
CID 142425010
1,2-diphenylnaphthalene
CID 11208267
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
(1Z,3E)-5-[4-(8-methylnaphthalen-1-yl)phenyl]-1,3-diphenylpenta-1,3-dien-1-amine
CID 142425146
(1Z,3E)-3-[4-[5-[4-(1-amino-1-phenylethyl)phenyl]naphthalen-1-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine;methanimine;toluene
CID 142425214
N'-(benzenecarboximidoyl)-N-benzyl-4-(2-triphenylen-2-ylnaphthalen-1-yl)benzenecarboximidamide
CID 174289167
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
1-[(Z)-3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]prop-1-enyl]naphthalen-2-amine
CID 166796379

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-[1-[2-[4-[(2-benzylhydrazinyl)methyl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-phenylprop-1-en-1-amine?
The IUPAC name of (Z)-1-[4-[1-[2-[4-[(2-benzylhydrazinyl)methyl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-phenylprop-1-en-1-amine (CID 145327197) is (Z)-1-[4-[1-[2-[4-[(2-benzylhydrazinyl)methyl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-phenylprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-[4-[1-[2-[4-[(2-benzylhydrazinyl)methyl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-phenylprop-1-en-1-amine?
The canonical SMILES for (Z)-1-[4-[1-[2-[4-[(2-benzylhydrazinyl)methyl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-phenylprop-1-en-1-amine is N/C(=C\Cc1ccccc1)c1ccc(-c2ccc3ccccc3c2-c2c(-c3ccc(CNNCc4ccccc4)cc3)ccc3ccccc23)cc1.
What is the InChIKey of (Z)-1-[4-[1-[2-[4-[(2-benzylhydrazinyl)methyl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-phenylprop-1-en-1-amine?
The InChIKey is IYXWDSNMIUAXKF-WPGMWTCCSA-N. The full InChI is InChI=1S/C49H41N3/c50-47(32-21-35-11-3-1-4-12-35)42-26-24-41(25-27-42)46-31-29-39-16-8-10-18-44(39)49(46)48-43-17-9-7-15-38(43)28-30-45(48)40-22-19-37(20-23-40)34-52-51-33-36-13-5-2-6-14-36/h1-20,22-32,51-52H,21,33-34,50H2/b47-32-.
What are the key properties of (Z)-1-[4-[1-[2-[4-[(2-benzylhydrazinyl)methyl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-phenylprop-1-en-1-amine?
(Z)-1-[4-[1-[2-[4-[(2-benzylhydrazinyl)methyl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-phenylprop-1-en-1-amine has a molecular weight of 671.89 g/mol, XLogP of 11.33, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-[1-[2-[4-[(2-benzylhydrazinyl)methyl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-phenylprop-1-en-1-amine is sourced from PubChem (CID 145327197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).