2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine

C34H25N4O+ — CID 176787862

IUPAC2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc2c(oc3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C34H25N4O/c1-22-19-20-26-25-16-11-17-27(30(25)39-31(26)29(22)28-18-9-10-21-38(28)2)34-36-32(23-12-5-3-6-13-23)35-33(37-34)24-14-7-4-8-15-24/h3-21H,1-2H3/q+1
InChIKeySNWOGODABSDZNB-UHFFFAOYSA-N
MW505.60 g/mol
LogP7.57
Rot. Bonds4

About 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine

2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 176787862) has the molecular formula C34H25N4O+ and a molecular weight of 505.60 g/mol. Its IUPAC name is 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID176787862
Molecular FormulaC34H25N4O+
Molecular Weight505.60 g/mol
Exact Mass505.20
IUPAC Name2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc2c(oc3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C34H25N4O/c1-22-19-20-26-25-16-11-17-27(30(25)39-31(26)29(22)28-18-9-10-21-38(28)2)34-36-32(23-12-5-3-6-13-23)35-33(37-34)24-14-7-4-8-15-24/h3-21H,1-2H3/q+1
InChIKeySNWOGODABSDZNB-UHFFFAOYSA-N
XLogP7.57
TPSA55.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.60
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,8-dimethyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 167357356
1-methyl-2-(3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)pyridin-1-ium
CID 167357317
2-[6-(10-deuterioanthracen-9-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 169077087
1-methyl-2-[3-methyl-6-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]pyridin-1-ium
CID 166052163
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-3-phenyldibenzofuran-4-carbonitrile
CID 167357518
trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-yl]germane
CID 167357536
7-methyl-8-(1-methylpyridin-1-ium-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 164798137
2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-2-yl]-4,6-diphenylpyrimidine
CID 176787702
1-methyl-2-[3-methyl-6-(1,1,3,3-tetradeuterio-2,2-dimethyl-2-benzosilol-4-yl)dibenzofuran-4-yl]pyridin-1-ium
CID 166051592
2-(6-benzo[g][1]benzothiol-4-yl-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 170239195
7-methyl-4-(4-methyl-3-phenylphenyl)-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 164849428
1-methyl-2-[3-methyl-6-(6-methyl-2,3-dihydro-1H-inden-4-yl)dibenzofuran-4-yl]pyridin-1-ium
CID 166051543

Frequently Asked Questions

What is the IUPAC name of 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine (CID 176787862) is 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine is Cc1ccc2c(oc3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc32)c1-c1cccc[n+]1C.
What is the InChIKey of 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is SNWOGODABSDZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N4O/c1-22-19-20-26-25-16-11-17-27(30(25)39-31(26)29(22)28-18-9-10-21-38(28)2)34-36-32(23-12-5-3-6-13-23)35-33(37-34)24-14-7-4-8-15-24/h3-21H,1-2H3/q+1.
What are the key properties of 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 505.60 g/mol, XLogP of 7.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 176787862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).