(E)-3-(4-bromophenyl)-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-N-[2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethyl]prop-2-en-1-amine;hydrochloride

C32H30Br2ClN3O — CID 22607606

IUPAC(E)-3-(4-bromophenyl)-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-N-[2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethyl]prop-2-en-1-amine;hydrochloride
SMILESBrc1ccc(/C=C/CN(C/C=C/c2ccc(Br)cc2)CCOc2cncc(/C=C/c3ccncc3)c2)cc1.Cl
InChIInChI=1S/C32H29Br2N3O.ClH/c33-30-11-7-26(8-12-30)3-1-19-37(20-2-4-27-9-13-31(34)14-10-27)21-22-38-32-23-29(24-36-25-32)6-5-28-15-17-35-18-16-28;/h1-18,23-25H,19-22H2;1H/b3-1+,4-2+,6-5+;
InChIKeyKLJLVCMKTZQJRT-ZMKYGYCLSA-N
MW667.87 g/mol
LogP8.70
Rot. Bonds12

About (E)-3-(4-bromophenyl)-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-N-[2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethyl]prop-2-en-1-amine;hydrochloride

(E)-3-(4-bromophenyl)-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-N-[2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethyl]prop-2-en-1-amine;hydrochloride (PubChem CID 22607606) has the molecular formula C32H30Br2ClN3O and a molecular weight of 667.87 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-N-[2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethyl]prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-N-[2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethyl]prop-2-en-1-amine;hydrochloride
PubChem CID22607606
Molecular FormulaC32H30Br2ClN3O
Molecular Weight667.87 g/mol
Exact Mass665.04
IUPAC Name(E)-3-(4-bromophenyl)-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-N-[2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethyl]prop-2-en-1-amine;hydrochloride
SMILESBrc1ccc(/C=C/CN(C/C=C/c2ccc(Br)cc2)CCOc2cncc(/C=C/c3ccncc3)c2)cc1.Cl
InChIInChI=1S/C32H29Br2N3O.ClH/c33-30-11-7-26(8-12-30)3-1-19-37(20-2-4-27-9-13-31(34)14-10-27)21-22-38-32-23-29(24-36-25-32)6-5-28-15-17-35-18-16-28;/h1-18,23-25H,19-22H2;1H/b3-1+,4-2+,6-5+;
InChIKeyKLJLVCMKTZQJRT-ZMKYGYCLSA-N
XLogP8.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.87
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (E)-3-(4-bromophenyl)-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-N-[2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethyl]prop-2-en-1-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-N-[2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethyl]prop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-3-(4-bromophenyl)-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-N-[2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethyl]prop-2-en-1-amine;hydrochloride (CID 22607606) is (E)-3-(4-bromophenyl)-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-N-[2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethyl]prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-N-[2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethyl]prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-N-[2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethyl]prop-2-en-1-amine;hydrochloride is Brc1ccc(/C=C/CN(C/C=C/c2ccc(Br)cc2)CCOc2cncc(/C=C/c3ccncc3)c2)cc1.Cl.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-N-[2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethyl]prop-2-en-1-amine;hydrochloride?
The InChIKey is KLJLVCMKTZQJRT-ZMKYGYCLSA-N. The full InChI is InChI=1S/C32H29Br2N3O.ClH/c33-30-11-7-26(8-12-30)3-1-19-37(20-2-4-27-9-13-31(34)14-10-27)21-22-38-32-23-29(24-36-25-32)6-5-28-15-17-35-18-16-28;/h1-18,23-25H,19-22H2;1H/b3-1+,4-2+,6-5+;.
What are the key properties of (E)-3-(4-bromophenyl)-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-N-[2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethyl]prop-2-en-1-amine;hydrochloride?
(E)-3-(4-bromophenyl)-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-N-[2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethyl]prop-2-en-1-amine;hydrochloride has a molecular weight of 667.87 g/mol, XLogP of 8.70, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-N-[2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethyl]prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 22607606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).