1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine

C42H44N4 — CID 59729859

IUPAC1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine
SMILESC=C(c1ccc(CCc2ccc(N3CCN(c4ccccc4)CC3)cc2)cc1)c1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C42H44N4/c1-34(38-20-24-42(25-21-38)46-32-28-44(29-33-46)40-10-6-3-7-11-40)37-18-14-35(15-19-37)12-13-36-16-22-41(23-17-36)45-30-26-43(27-31-45)39-8-4-2-5-9-39/h2-11,14-25H,1,12-13,26-33H2
InChIKeyHUDKPVNTAXPJJL-UHFFFAOYSA-N
MW604.84 g/mol
LogP8.19
Rot. Bonds9

About 1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine

1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine (PubChem CID 59729859) has the molecular formula C42H44N4 and a molecular weight of 604.84 g/mol. Its IUPAC name is 1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine
PubChem CID59729859
Molecular FormulaC42H44N4
Molecular Weight604.84 g/mol
Exact Mass604.36
IUPAC Name1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine
SMILESC=C(c1ccc(CCc2ccc(N3CCN(c4ccccc4)CC3)cc2)cc1)c1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C42H44N4/c1-34(38-20-24-42(25-21-38)46-32-28-44(29-33-46)40-10-6-3-7-11-40)37-18-14-35(15-19-37)12-13-36-16-22-41(23-17-36)45-30-26-43(27-31-45)39-8-4-2-5-9-39/h2-11,14-25H,1,12-13,26-33H2
InChIKeyHUDKPVNTAXPJJL-UHFFFAOYSA-N
XLogP8.19
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.84
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-4-(4-propylphenyl)piperazine
CID 141108902
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CID 70673095
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[4-(aziridin-1-yl)phenyl]-phenylmethanone
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2-[4-(4-phenylpiperazin-1-yl)phenyl]acetonitrile
CID 82537637
3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine
CID 118185239
4-[4-(4-carboxyphenyl)piperazin-1-yl]benzoic acid
CID 86748187
4-[4-(4-benzylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051572
1-(chloromethyl)-4-(1-phenylethenyl)benzene
CID 68708989
1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one
CID 177471870
N-[[4-(1-phenylethenyl)phenyl]methyl]azepan-1-amine
CID 150461951
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine?
The IUPAC name of 1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine (CID 59729859) is 1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine?
The canonical SMILES for 1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine is C=C(c1ccc(CCc2ccc(N3CCN(c4ccccc4)CC3)cc2)cc1)c1ccc(N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine?
The InChIKey is HUDKPVNTAXPJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44N4/c1-34(38-20-24-42(25-21-38)46-32-28-44(29-33-46)40-10-6-3-7-11-40)37-18-14-35(15-19-37)12-13-36-16-22-41(23-17-36)45-30-26-43(27-31-45)39-8-4-2-5-9-39/h2-11,14-25H,1,12-13,26-33H2.
What are the key properties of 1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine?
1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine has a molecular weight of 604.84 g/mol, XLogP of 8.19, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine is sourced from PubChem (CID 59729859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).