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

C47H39N — CID 146647346

IUPAC(1Z,3E)-3-[4-[1-(1,2-diphenylethyl)naphthalen-2-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine
SMILESN/C(=C\C(=C/Cc1ccccc1)c1ccc(-c2ccc3ccccc3c2C(Cc2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C47H39N/c48-46(41-22-11-4-12-23-41)34-42(26-25-35-15-5-1-6-16-35)37-27-29-40(30-28-37)44-32-31-39-21-13-14-24-43(39)47(44)45(38-19-9-3-10-20-38)33-36-17-7-2-8-18-36/h1-24,26-32,34,45H,25,33,48H2/b42-26+,46-34-
InChIKeyAKWLKJKNDPVSCF-XDRHMHTRSA-N
MW617.84 g/mol
LogP11.51
Rot. Bonds10

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

(1Z,3E)-3-[4-[1-(1,2-diphenylethyl)naphthalen-2-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine (PubChem CID 146647346) has the molecular formula C47H39N and a molecular weight of 617.84 g/mol. Its IUPAC name is (1Z,3E)-3-[4-[1-(1,2-diphenylethyl)naphthalen-2-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-[4-[1-(1,2-diphenylethyl)naphthalen-2-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine
PubChem CID146647346
Molecular FormulaC47H39N
Molecular Weight617.84 g/mol
Exact Mass617.31
IUPAC Name(1Z,3E)-3-[4-[1-(1,2-diphenylethyl)naphthalen-2-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine
SMILESN/C(=C\C(=C/Cc1ccccc1)c1ccc(-c2ccc3ccccc3c2C(Cc2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C47H39N/c48-46(41-22-11-4-12-23-41)34-42(26-25-35-15-5-1-6-16-35)37-27-29-40(30-28-37)44-32-31-39-21-13-14-24-43(39)47(44)45(38-19-9-3-10-20-38)33-36-17-7-2-8-18-36/h1-24,26-32,34,45H,25,33,48H2/b42-26+,46-34-
InChIKeyAKWLKJKNDPVSCF-XDRHMHTRSA-N
XLogP11.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.84
LogP ≤ 511.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-[4-[1-(1,2-diphenylethyl)naphthalen-2-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-3-[4-[1-(1,2-diphenylethyl)naphthalen-2-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine (CID 146647346) is (1Z,3E)-3-[4-[1-(1,2-diphenylethyl)naphthalen-2-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-3-[4-[1-(1,2-diphenylethyl)naphthalen-2-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-3-[4-[1-(1,2-diphenylethyl)naphthalen-2-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine is N/C(=C\C(=C/Cc1ccccc1)c1ccc(-c2ccc3ccccc3c2C(Cc2ccccc2)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (1Z,3E)-3-[4-[1-(1,2-diphenylethyl)naphthalen-2-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine?
The InChIKey is AKWLKJKNDPVSCF-XDRHMHTRSA-N. The full InChI is InChI=1S/C47H39N/c48-46(41-22-11-4-12-23-41)34-42(26-25-35-15-5-1-6-16-35)37-27-29-40(30-28-37)44-32-31-39-21-13-14-24-43(39)47(44)45(38-19-9-3-10-20-38)33-36-17-7-2-8-18-36/h1-24,26-32,34,45H,25,33,48H2/b42-26+,46-34-.
What are the key properties of (1Z,3E)-3-[4-[1-(1,2-diphenylethyl)naphthalen-2-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine?
(1Z,3E)-3-[4-[1-(1,2-diphenylethyl)naphthalen-2-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine has a molecular weight of 617.84 g/mol, XLogP of 11.51, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-[4-[1-(1,2-diphenylethyl)naphthalen-2-yl]phenyl]-1,5-diphenylpenta-1,3-dien-1-amine is sourced from PubChem (CID 146647346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).