(1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine

C34H30N2 — CID 142425192

IUPAC(1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine
SMILESNCc1ccc(-c2ccc3ccccc3c2C(/C=C(\N)c2ccccc2)=C/Cc2ccccc2)cc1
InChIInChI=1S/C34H30N2/c35-24-26-16-18-28(19-17-26)32-22-21-27-11-7-8-14-31(27)34(32)30(20-15-25-9-3-1-4-10-25)23-33(36)29-12-5-2-6-13-29/h1-14,16-23H,15,24,35-36H2/b30-20+,33-23-
InChIKeySTJSOMHIRFPALT-NFQRQSNISA-N
MW466.63 g/mol
LogP7.59
Rot. Bonds7

About (1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine

(1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine (PubChem CID 142425192) has the molecular formula C34H30N2 and a molecular weight of 466.63 g/mol. Its IUPAC name is (1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine
PubChem CID142425192
Molecular FormulaC34H30N2
Molecular Weight466.63 g/mol
Exact Mass466.24
IUPAC Name(1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine
SMILESNCc1ccc(-c2ccc3ccccc3c2C(/C=C(\N)c2ccccc2)=C/Cc2ccccc2)cc1
InChIInChI=1S/C34H30N2/c35-24-26-16-18-28(19-17-26)32-22-21-27-11-7-8-14-31(27)34(32)30(20-15-25-9-3-1-4-10-25)23-33(36)29-12-5-2-6-13-29/h1-14,16-23H,15,24,35-36H2/b30-20+,33-23-
InChIKeySTJSOMHIRFPALT-NFQRQSNISA-N
XLogP7.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1Z,3E)-3-[4-[1-(1,2-diphenylethyl)naphthalen-2-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine
CID 146647346
(1Z,3E)-5-[4-(8-methylnaphthalen-1-yl)phenyl]-1,3-diphenylpenta-1,3-dien-1-amine
CID 142425146
(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
(1Z,3E)-1,5-diphenyl-3-[2-(2-triphenylen-2-ylphenyl)phenyl]penta-1,3-dien-1-amine
CID 142297675
(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
benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine
CID 142425010
4-[4-(aminomethyl)phenyl]-2-phenylbut-2-enal
CID 174557828
(1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine
CID 142296330
(Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine
CID 143099574
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
(1Z,3E)-3,5-diphenylpenta-1,3-dien-1-amine
CID 145186823
(1Z,3E)-3-[9,9-dimethyl-6'-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]-1,5-diphenylpenta-1,3-dien-1-amine
CID 142480492

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine (CID 142425192) is (1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine is NCc1ccc(-c2ccc3ccccc3c2C(/C=C(\N)c2ccccc2)=C/Cc2ccccc2)cc1.
What is the InChIKey of (1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine?
The InChIKey is STJSOMHIRFPALT-NFQRQSNISA-N. The full InChI is InChI=1S/C34H30N2/c35-24-26-16-18-28(19-17-26)32-22-21-27-11-7-8-14-31(27)34(32)30(20-15-25-9-3-1-4-10-25)23-33(36)29-12-5-2-6-13-29/h1-14,16-23H,15,24,35-36H2/b30-20+,33-23-.
What are the key properties of (1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine?
(1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine has a molecular weight of 466.63 g/mol, XLogP of 7.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine is sourced from PubChem (CID 142425192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).