4-(2,4,6-triphenylphenyl)-1-[2-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium

C60H46N2+2 — CID 10796047

IUPAC4-(2,4,6-triphenylphenyl)-1-[2-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3cc[n+](CC[n+]4ccc(-c5c(-c6ccccc6)cc(-c6ccccc6)cc5-c5ccccc5)cc4)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C60H46N2/c1-7-19-45(20-8-1)53-41-55(47-23-11-3-12-24-47)59(56(42-53)48-25-13-4-14-26-48)51-31-35-61(36-32-51)39-40-62-37-33-52(34-38-62)60-57(49-27-15-5-16-28-49)43-54(46-21-9-2-10-22-46)44-58(60)50-29-17-6-18-30-50/h1-38,41-44H,39-40H2/q+2
InChIKeyQWKMDWZPYTXWEL-UHFFFAOYSA-N
MW795.04 g/mol
LogP14.30
Rot. Bonds11

About 4-(2,4,6-triphenylphenyl)-1-[2-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium

4-(2,4,6-triphenylphenyl)-1-[2-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium (PubChem CID 10796047) has the molecular formula C60H46N2+2 and a molecular weight of 795.04 g/mol. Its IUPAC name is 4-(2,4,6-triphenylphenyl)-1-[2-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium.

Molecular Properties

Compound Name4-(2,4,6-triphenylphenyl)-1-[2-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium
PubChem CID10796047
Molecular FormulaC60H46N2+2
Molecular Weight795.04 g/mol
Exact Mass794.37
IUPAC Name4-(2,4,6-triphenylphenyl)-1-[2-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3cc[n+](CC[n+]4ccc(-c5c(-c6ccccc6)cc(-c6ccccc6)cc5-c5ccccc5)cc4)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C60H46N2/c1-7-19-45(20-8-1)53-41-55(47-23-11-3-12-24-47)59(56(42-53)48-25-13-4-14-26-48)51-31-35-61(36-32-51)39-40-62-37-33-52(34-38-62)60-57(49-27-15-5-16-28-49)43-54(46-21-9-2-10-22-46)44-58(60)50-29-17-6-18-30-50/h1-38,41-44H,39-40H2/q+2
InChIKeyQWKMDWZPYTXWEL-UHFFFAOYSA-N
XLogP14.30
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-triphenylphenyl)-1-[2-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium?
The IUPAC name of 4-(2,4,6-triphenylphenyl)-1-[2-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium (CID 10796047) is 4-(2,4,6-triphenylphenyl)-1-[2-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium.
What is the SMILES notation for 4-(2,4,6-triphenylphenyl)-1-[2-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium?
The canonical SMILES for 4-(2,4,6-triphenylphenyl)-1-[2-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium is c1ccc(-c2cc(-c3ccccc3)c(-c3cc[n+](CC[n+]4ccc(-c5c(-c6ccccc6)cc(-c6ccccc6)cc5-c5ccccc5)cc4)cc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-(2,4,6-triphenylphenyl)-1-[2-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium?
The InChIKey is QWKMDWZPYTXWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-7-19-45(20-8-1)53-41-55(47-23-11-3-12-24-47)59(56(42-53)48-25-13-4-14-26-48)51-31-35-61(36-32-51)39-40-62-37-33-52(34-38-62)60-57(49-27-15-5-16-28-49)43-54(46-21-9-2-10-22-46)44-58(60)50-29-17-6-18-30-50/h1-38,41-44H,39-40H2/q+2.
What are the key properties of 4-(2,4,6-triphenylphenyl)-1-[2-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium?
4-(2,4,6-triphenylphenyl)-1-[2-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium has a molecular weight of 795.04 g/mol, XLogP of 14.30, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-triphenylphenyl)-1-[2-[4-(2,4,6-triphenylphenyl)pyridin-1-ium-1-yl]ethyl]pyridin-1-ium is sourced from PubChem (CID 10796047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).