1-[4-(5-triphenylen-2-ylthiophen-2-yl)phenyl]piperazine

C32H26N2S — CID 175148924

IUPAC1-[4-(5-triphenylen-2-ylthiophen-2-yl)phenyl]piperazine
SMILESc1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-c4ccc(N5CCNCC5)cc4)s3)ccc21
InChIInChI=1S/C32H26N2S/c1-2-7-27-25(5-1)26-6-3-4-8-28(26)30-21-23(11-14-29(27)30)32-16-15-31(35-32)22-9-12-24(13-10-22)34-19-17-33-18-20-34/h1-16,21,33H,17-20H2
InChIKeyYSISTEVNMCNXSE-UHFFFAOYSA-N
MW470.64 g/mol
LogP7.95
Rot. Bonds3

About 1-[4-(5-triphenylen-2-ylthiophen-2-yl)phenyl]piperazine

1-[4-(5-triphenylen-2-ylthiophen-2-yl)phenyl]piperazine (PubChem CID 175148924) has the molecular formula C32H26N2S and a molecular weight of 470.64 g/mol. Its IUPAC name is 1-[4-(5-triphenylen-2-ylthiophen-2-yl)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(5-triphenylen-2-ylthiophen-2-yl)phenyl]piperazine
PubChem CID175148924
Molecular FormulaC32H26N2S
Molecular Weight470.64 g/mol
Exact Mass470.18
IUPAC Name1-[4-(5-triphenylen-2-ylthiophen-2-yl)phenyl]piperazine
SMILESc1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-c4ccc(N5CCNCC5)cc4)s3)ccc21
InChIInChI=1S/C32H26N2S/c1-2-7-27-25(5-1)26-6-3-4-8-28(26)30-21-23(11-14-29(27)30)32-16-15-31(35-32)22-9-12-24(13-10-22)34-19-17-33-18-20-34/h1-16,21,33H,17-20H2
InChIKeyYSISTEVNMCNXSE-UHFFFAOYSA-N
XLogP7.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.64
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide
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4-(4-piperazin-1-ylphenyl)pyridin-2-amine
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4-(4-piperazin-1-ylphenyl)benzenesulfonyl chloride
CID 121464193
1-[4-(2-thiophen-2-ylthiophen-3-yl)phenyl]piperazine;hydrochloride
CID 174964215
aniline;1-phenylpiperazine
CID 175572624
1-[4-(4-ethylphenyl)phenyl]piperazine
CID 82092038
1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine
CID 22762532
9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole
CID 177093533

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-triphenylen-2-ylthiophen-2-yl)phenyl]piperazine?
The IUPAC name of 1-[4-(5-triphenylen-2-ylthiophen-2-yl)phenyl]piperazine (CID 175148924) is 1-[4-(5-triphenylen-2-ylthiophen-2-yl)phenyl]piperazine.
What is the SMILES notation for 1-[4-(5-triphenylen-2-ylthiophen-2-yl)phenyl]piperazine?
The canonical SMILES for 1-[4-(5-triphenylen-2-ylthiophen-2-yl)phenyl]piperazine is c1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-c4ccc(N5CCNCC5)cc4)s3)ccc21.
What is the InChIKey of 1-[4-(5-triphenylen-2-ylthiophen-2-yl)phenyl]piperazine?
The InChIKey is YSISTEVNMCNXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2S/c1-2-7-27-25(5-1)26-6-3-4-8-28(26)30-21-23(11-14-29(27)30)32-16-15-31(35-32)22-9-12-24(13-10-22)34-19-17-33-18-20-34/h1-16,21,33H,17-20H2.
What are the key properties of 1-[4-(5-triphenylen-2-ylthiophen-2-yl)phenyl]piperazine?
1-[4-(5-triphenylen-2-ylthiophen-2-yl)phenyl]piperazine has a molecular weight of 470.64 g/mol, XLogP of 7.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-triphenylen-2-ylthiophen-2-yl)phenyl]piperazine is sourced from PubChem (CID 175148924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).