6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate

C29H23ClO5 — CID 134911741

IUPAC6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate
SMILESCc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)[o+]c3ccc(C)cc23)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C29H23O.ClHO4/c1-20-13-16-23(17-14-20)27-25-19-21(2)15-18-26(25)30-29(24-11-7-4-8-12-24)28(27)22-9-5-3-6-10-22;2-1(3,4)5/h3-19H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyUGWSXDUJNPOULR-UHFFFAOYSA-M
MW486.95 g/mol
LogP3.58
Rot. Bonds3

About 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate

6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate (PubChem CID 134911741) has the molecular formula C29H23ClO5 and a molecular weight of 486.95 g/mol. Its IUPAC name is 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate.

Molecular Properties

Compound Name6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate
PubChem CID134911741
Molecular FormulaC29H23ClO5
Molecular Weight486.95 g/mol
Exact Mass486.12
IUPAC Name6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate
SMILESCc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)[o+]c3ccc(C)cc23)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C29H23O.ClHO4/c1-20-13-16-23(17-14-20)27-25-19-21(2)15-18-26(25)30-29(24-11-7-4-8-12-24)28(27)22-9-5-3-6-10-22;2-1(3,4)5/h3-19H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyUGWSXDUJNPOULR-UHFFFAOYSA-M
XLogP3.58
TPSA103.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.95
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate 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

6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium
CID 134911742
4-(4-methylphenyl)-2,3,6-triphenylpyrylium
CID 3459815
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
2,7-dimethyl-1,4-diphenylnaphthalene
CID 46919192
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161
2-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
9-chloro-2,6-dimethyl-10-phenylanthracene
CID 58351152

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate?
The IUPAC name of 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate (CID 134911741) is 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate.
What is the SMILES notation for 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate?
The canonical SMILES for 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate is Cc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)[o+]c3ccc(C)cc23)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate?
The InChIKey is UGWSXDUJNPOULR-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H23O.ClHO4/c1-20-13-16-23(17-14-20)27-25-19-21(2)15-18-26(25)30-29(24-11-7-4-8-12-24)28(27)22-9-5-3-6-10-22;2-1(3,4)5/h3-19H,1-2H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate?
6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate has a molecular weight of 486.95 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate is sourced from PubChem (CID 134911741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).