6-methyl-2,4-diphenylbenzo[h]chromen-1-ium

C26H19O+ — CID 154717150

IUPAC6-methyl-2,4-diphenylbenzo[h]chromen-1-ium
SMILESCc1cc2c(-c3ccccc3)cc(-c3ccccc3)[o+]c2c2ccccc12
InChIInChI=1S/C26H19O/c1-18-16-24-23(19-10-4-2-5-11-19)17-25(20-12-6-3-7-13-20)27-26(24)22-15-9-8-14-21(18)22/h2-17H,1H3/q+1
InChIKeySGUBRGKEECUZAB-UHFFFAOYSA-N
MW347.44 g/mol
LogP7.51
Rot. Bonds2

About 6-methyl-2,4-diphenylbenzo[h]chromen-1-ium

6-methyl-2,4-diphenylbenzo[h]chromen-1-ium (PubChem CID 154717150) has the molecular formula C26H19O+ and a molecular weight of 347.44 g/mol. Its IUPAC name is 6-methyl-2,4-diphenylbenzo[h]chromen-1-ium.

Molecular Properties

Compound Name6-methyl-2,4-diphenylbenzo[h]chromen-1-ium
PubChem CID154717150
Molecular FormulaC26H19O+
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name6-methyl-2,4-diphenylbenzo[h]chromen-1-ium
SMILESCc1cc2c(-c3ccccc3)cc(-c3ccccc3)[o+]c2c2ccccc12
InChIInChI=1S/C26H19O/c1-18-16-24-23(19-10-4-2-5-11-19)17-25(20-12-6-3-7-13-20)27-26(24)22-15-9-8-14-21(18)22/h2-17H,1H3/q+1
InChIKeySGUBRGKEECUZAB-UHFFFAOYSA-N
XLogP7.51
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-phenylbenzo[h]chromen-1-ium
CID 142492639
4,6-diphenyl-2-(4-phenylphenyl)chromenylium
CID 90472342
2,4-diphenylbenzo[g]chromen-1-ium
CID 134912167
8,8-dimethyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium
CID 3796857
4-(4-methylphenyl)-2,3,6-triphenylpyrylium
CID 3459815
2-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083
9-(4-carbazol-9-yl-2-methyl-5-phenylphenyl)carbazole
CID 118944224
9-(4-methyl-2,5-diphenylphenyl)carbazole
CID 167659525
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
4-tert-butyl-2-phenylchromenylium
CID 142492656
1,5-dimethyl-3-phenylnaphthalene
CID 171720915
1,2-dimethyl-5-phenylnaphthalene
CID 171799128

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,4-diphenylbenzo[h]chromen-1-ium?
The IUPAC name of 6-methyl-2,4-diphenylbenzo[h]chromen-1-ium (CID 154717150) is 6-methyl-2,4-diphenylbenzo[h]chromen-1-ium.
What is the SMILES notation for 6-methyl-2,4-diphenylbenzo[h]chromen-1-ium?
The canonical SMILES for 6-methyl-2,4-diphenylbenzo[h]chromen-1-ium is Cc1cc2c(-c3ccccc3)cc(-c3ccccc3)[o+]c2c2ccccc12.
What is the InChIKey of 6-methyl-2,4-diphenylbenzo[h]chromen-1-ium?
The InChIKey is SGUBRGKEECUZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19O/c1-18-16-24-23(19-10-4-2-5-11-19)17-25(20-12-6-3-7-13-20)27-26(24)22-15-9-8-14-21(18)22/h2-17H,1H3/q+1.
What are the key properties of 6-methyl-2,4-diphenylbenzo[h]chromen-1-ium?
6-methyl-2,4-diphenylbenzo[h]chromen-1-ium has a molecular weight of 347.44 g/mol, XLogP of 7.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4-diphenylbenzo[h]chromen-1-ium is sourced from PubChem (CID 154717150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).