1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium

C38H38N+ — CID 140869290

IUPAC1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium
SMILESCc1cc(-c2ccc(-c3ccccc3)cc2C)[n+](C)cc1-c1ccc2c(c1)C(C)(C)c1ccccc1C2(C)C
InChIInChI=1S/C38H38N/c1-25-21-28(27-13-9-8-10-14-27)17-19-30(25)36-22-26(2)31(24-39(36)7)29-18-20-34-35(23-29)38(5,6)33-16-12-11-15-32(33)37(34,3)4/h8-24H,1-7H3/q+1
InChIKeyRNSIQBKNUMMRIJ-UHFFFAOYSA-N
MW508.73 g/mol
LogP9.09
Rot. Bonds3

About 1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium

1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium (PubChem CID 140869290) has the molecular formula C38H38N+ and a molecular weight of 508.73 g/mol. Its IUPAC name is 1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium
PubChem CID140869290
Molecular FormulaC38H38N+
Molecular Weight508.73 g/mol
Exact Mass508.30
IUPAC Name1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium
SMILESCc1cc(-c2ccc(-c3ccccc3)cc2C)[n+](C)cc1-c1ccc2c(c1)C(C)(C)c1ccccc1C2(C)C
InChIInChI=1S/C38H38N/c1-25-21-28(27-13-9-8-10-14-27)17-19-30(25)36-22-26(2)31(24-39(36)7)29-18-20-34-35(23-29)38(5,6)33-16-12-11-15-32(33)37(34,3)4/h8-24H,1-7H3/q+1
InChIKeyRNSIQBKNUMMRIJ-UHFFFAOYSA-N
XLogP9.09
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.73
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium 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

4-(10,10-dimethylspiro[anthracene-9,1'-cyclopropane]-2-yl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium
CID 140869215
1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium
CID 58240297
2-(4-tert-butyl-2-methylphenyl)-1,4-dimethyl-5-phenylpyridin-1-ium
CID 167357881
4-(10,10-dimethylspiro[anthracene-9,1'-cyclohexane]-2-yl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium
CID 140869287
9,9,10,10-tetramethyl-2,6-bis(2-phenylphenyl)anthracene
CID 59649045
1,5-dimethyl-2-(2-methylphenyl)-4-[10-methyl-10-(trideuteriomethyl)spiro[anthracene-9,1'-cyclopentane]-2-yl]pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclohexane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopentane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopropane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 161126377
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
bis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine
CID 161473059
4-(10-deuterio-9,9,10-trimethylanthracen-2-yl)-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium
CID 140869146
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium?
The IUPAC name of 1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium (CID 140869290) is 1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium.
What is the SMILES notation for 1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium?
The canonical SMILES for 1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium is Cc1cc(-c2ccc(-c3ccccc3)cc2C)[n+](C)cc1-c1ccc2c(c1)C(C)(C)c1ccccc1C2(C)C.
What is the InChIKey of 1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium?
The InChIKey is RNSIQBKNUMMRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N/c1-25-21-28(27-13-9-8-10-14-27)17-19-30(25)36-22-26(2)31(24-39(36)7)29-18-20-34-35(23-29)38(5,6)33-16-12-11-15-32(33)37(34,3)4/h8-24H,1-7H3/q+1.
What are the key properties of 1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium?
1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium has a molecular weight of 508.73 g/mol, XLogP of 9.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium is sourced from PubChem (CID 140869290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).