4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol

C38H27N4O+ — CID 135409880

IUPAC4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol
SMILESOc1c(-c2ccccn2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccncc3)cc2-c2ccccc2)cc1-c1ccccn1
InChIInChI=1S/C38H26N4O/c43-38-32(34-15-7-9-19-40-34)25-31(26-33(38)35-16-8-10-20-41-35)42-36(28-11-3-1-4-12-28)23-30(27-17-21-39-22-18-27)24-37(42)29-13-5-2-6-14-29/h1-26H/p+1
InChIKeyDJSOSEUGNKASEQ-UHFFFAOYSA-O
MW555.66 g/mol
LogP8.19
Rot. Bonds6

About 4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol

4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol (PubChem CID 135409880) has the molecular formula C38H27N4O+ and a molecular weight of 555.66 g/mol. Its IUPAC name is 4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol.

Molecular Properties

Compound Name4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol
PubChem CID135409880
Molecular FormulaC38H27N4O+
Molecular Weight555.66 g/mol
Exact Mass555.22
IUPAC Name4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol
SMILESOc1c(-c2ccccn2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccncc3)cc2-c2ccccc2)cc1-c1ccccn1
InChIInChI=1S/C38H26N4O/c43-38-32(34-15-7-9-19-40-34)25-31(26-33(38)35-16-8-10-20-41-35)42-36(28-11-3-1-4-12-28)23-30(27-17-21-39-22-18-27)24-37(42)29-13-5-2-6-14-29/h1-26H/p+1
InChIKeyDJSOSEUGNKASEQ-UHFFFAOYSA-O
XLogP8.19
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.66
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol with MolForge

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Launch Full Analysis

Related Compounds

4-(4-phenyl-2,6-dipyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-4-ylphenol
CID 135404283
1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate
CID 13016817
4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-3-ylphenolate
CID 11734364
(6Z)-4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2-pyridin-2-yl-6-(1H-pyridin-2-ylidene)cyclohexa-2,4-dien-1-one
CID 135757504
1-[4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-(4-tert-butylphenyl)-2,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyridin-1-ium
CID 132525493
1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium
CID 102227143
2,4,6-tripyridin-4-ylphenol
CID 141364180
2-pyridin-4-ylpyridine;dihydrochloride
CID 173206035
2-(4-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 142417656
2-methyl-1,4,6-triphenylpyridin-1-ium
CID 3702073
4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoic acid
CID 3720319
bis(2-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine);3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine;4-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine
CID 167601942

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol?
The IUPAC name of 4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol (CID 135409880) is 4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol.
What is the SMILES notation for 4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol?
The canonical SMILES for 4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol is Oc1c(-c2ccccn2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccncc3)cc2-c2ccccc2)cc1-c1ccccn1.
What is the InChIKey of 4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol?
The InChIKey is DJSOSEUGNKASEQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C38H26N4O/c43-38-32(34-15-7-9-19-40-34)25-31(26-33(38)35-16-8-10-20-41-35)42-36(28-11-3-1-4-12-28)23-30(27-17-21-39-22-18-27)24-37(42)29-13-5-2-6-14-29/h1-26H/p+1.
What are the key properties of 4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol?
4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol has a molecular weight of 555.66 g/mol, XLogP of 8.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol is sourced from PubChem (CID 135409880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).