1-phenyl-4-[[1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrazol-4-yl]methyl]piperazine

C30H32N4 — CID 71583848

IUPAC1-phenyl-4-[[1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrazol-4-yl]methyl]piperazine
SMILESc1ccc(N2CCN(Cc3cnn(-c4cc5ccc4CCc4ccc(cc4)CC5)c3)CC2)cc1
InChIInChI=1S/C30H32N4/c1-2-4-29(5-3-1)33-18-16-32(17-19-33)22-27-21-31-34(23-27)30-20-26-11-10-24-6-8-25(9-7-24)12-14-28(30)15-13-26/h1-9,13,15,20-21,23H,10-12,14,16-19,22H2
InChIKeyVMUIVGHGONOVFW-UHFFFAOYSA-N
MW448.61 g/mol
LogP5.08
Rot. Bonds4

About 1-phenyl-4-[[1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrazol-4-yl]methyl]piperazine

1-phenyl-4-[[1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrazol-4-yl]methyl]piperazine (PubChem CID 71583848) has the molecular formula C30H32N4 and a molecular weight of 448.61 g/mol. Its IUPAC name is 1-phenyl-4-[[1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[[1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrazol-4-yl]methyl]piperazine
PubChem CID71583848
Molecular FormulaC30H32N4
Molecular Weight448.61 g/mol
Exact Mass448.26
IUPAC Name1-phenyl-4-[[1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrazol-4-yl]methyl]piperazine
SMILESc1ccc(N2CCN(Cc3cnn(-c4cc5ccc4CCc4ccc(cc4)CC5)c3)CC2)cc1
InChIInChI=1S/C30H32N4/c1-2-4-29(5-3-1)33-18-16-32(17-19-33)22-27-21-31-34(23-27)30-20-26-11-10-24-6-8-25(9-7-24)12-14-28(30)15-13-26/h1-9,13,15,20-21,23H,10-12,14,16-19,22H2
InChIKeyVMUIVGHGONOVFW-UHFFFAOYSA-N
XLogP5.08
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-4-[[1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrazol-4-yl]methyl]piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[[1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-phenyl-4-[[1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrazol-4-yl]methyl]piperazine (CID 71583848) is 1-phenyl-4-[[1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[[1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-phenyl-4-[[1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrazol-4-yl]methyl]piperazine is c1ccc(N2CCN(Cc3cnn(-c4cc5ccc4CCc4ccc(cc4)CC5)c3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[[1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrazol-4-yl]methyl]piperazine?
The InChIKey is VMUIVGHGONOVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4/c1-2-4-29(5-3-1)33-18-16-32(17-19-33)22-27-21-31-34(23-27)30-20-26-11-10-24-6-8-25(9-7-24)12-14-28(30)15-13-26/h1-9,13,15,20-21,23H,10-12,14,16-19,22H2.
What are the key properties of 1-phenyl-4-[[1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrazol-4-yl]methyl]piperazine?
1-phenyl-4-[[1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrazol-4-yl]methyl]piperazine has a molecular weight of 448.61 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[[1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 71583848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).