2,4,5-triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole

C50H46N4 — CID 71654401

IUPAC2,4,5-triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole
SMILESc1ccc(-c2nc(-c3ccccc3)n(CCCCCCCCn3c(-c4ccccc4)nc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C50H46N4/c1(3-23-37-53-47(41-29-15-7-16-30-41)45(39-25-11-5-12-26-39)51-49(53)43-33-19-9-20-34-43)2-4-24-38-54-48(42-31-17-8-18-32-42)46(40-27-13-6-14-28-40)52-50(54)44-35-21-10-22-36-44/h5-22,25-36H,1-4,23-24,37-38H2
InChIKeyFFXMKCXJJYUBBN-UHFFFAOYSA-N
MW702.95 g/mol
LogP13.12
Rot. Bonds15

About 2,4,5-triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole

2,4,5-triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole (PubChem CID 71654401) has the molecular formula C50H46N4 and a molecular weight of 702.95 g/mol. Its IUPAC name is 2,4,5-triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole.

Molecular Properties

Compound Name2,4,5-triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole
PubChem CID71654401
Molecular FormulaC50H46N4
Molecular Weight702.95 g/mol
Exact Mass702.37
IUPAC Name2,4,5-triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole
SMILESc1ccc(-c2nc(-c3ccccc3)n(CCCCCCCCn3c(-c4ccccc4)nc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C50H46N4/c1(3-23-37-53-47(41-29-15-7-16-30-41)45(39-25-11-5-12-26-39)51-49(53)43-33-19-9-20-34-43)2-4-24-38-54-48(42-31-17-8-18-32-42)46(40-27-13-6-14-28-40)52-50(54)44-35-21-10-22-36-44/h5-22,25-36H,1-4,23-24,37-38H2
InChIKeyFFXMKCXJJYUBBN-UHFFFAOYSA-N
XLogP13.12
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.95
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole?
The IUPAC name of 2,4,5-triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole (CID 71654401) is 2,4,5-triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole.
What is the SMILES notation for 2,4,5-triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole?
The canonical SMILES for 2,4,5-triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole is c1ccc(-c2nc(-c3ccccc3)n(CCCCCCCCn3c(-c4ccccc4)nc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2,4,5-triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole?
The InChIKey is FFXMKCXJJYUBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46N4/c1(3-23-37-53-47(41-29-15-7-16-30-41)45(39-25-11-5-12-26-39)51-49(53)43-33-19-9-20-34-43)2-4-24-38-54-48(42-31-17-8-18-32-42)46(40-27-13-6-14-28-40)52-50(54)44-35-21-10-22-36-44/h5-22,25-36H,1-4,23-24,37-38H2.
What are the key properties of 2,4,5-triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole?
2,4,5-triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole has a molecular weight of 702.95 g/mol, XLogP of 13.12, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole is sourced from PubChem (CID 71654401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).