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

C29H23O+ — CID 134911742

IUPAC6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium
SMILESCc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)[o+]c3ccc(C)cc23)cc1
InChIInChI=1S/C29H23O/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/h3-19H,1-2H3/q+1
InChIKeyATRXBZVBUYWDQD-UHFFFAOYSA-N
MW387.50 g/mol
LogP8.33
Rot. Bonds3

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

6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium (PubChem CID 134911742) has the molecular formula C29H23O+ and a molecular weight of 387.50 g/mol. Its IUPAC name is 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium.

Molecular Properties

Compound Name6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium
PubChem CID134911742
Molecular FormulaC29H23O+
Molecular Weight387.50 g/mol
Exact Mass387.17
IUPAC Name6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium
SMILESCc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)[o+]c3ccc(C)cc23)cc1
InChIInChI=1S/C29H23O/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/h3-19H,1-2H3/q+1
InChIKeyATRXBZVBUYWDQD-UHFFFAOYSA-N
XLogP8.33
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate
CID 134911741
4-(4-methylphenyl)-2,3,6-triphenylpyrylium
CID 3459815
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
2,7-dimethyl-1,4-diphenylnaphthalene
CID 46919192
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
2,9-dimethyl-10-phenylanthracene
CID 58435289
2-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
3,9-dimethyl-6-phenylcarbazole
CID 59499447
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium?
The IUPAC name of 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium (CID 134911742) is 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium.
What is the SMILES notation for 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium?
The canonical SMILES for 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium is Cc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)[o+]c3ccc(C)cc23)cc1.
What is the InChIKey of 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium?
The InChIKey is ATRXBZVBUYWDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23O/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/h3-19H,1-2H3/q+1.
What are the key properties of 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium?
6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium has a molecular weight of 387.50 g/mol, XLogP of 8.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium is sourced from PubChem (CID 134911742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).