2,4-diphenylbenzo[g]chromen-1-ium

C25H17O+ — CID 134912167

IUPAC2,4-diphenylbenzo[g]chromen-1-ium
SMILESc1ccc(-c2cc(-c3ccccc3)c3cc4ccccc4cc3[o+]2)cc1
InChIInChI=1S/C25H17O/c1-3-9-18(10-4-1)22-17-24(19-11-5-2-6-12-19)26-25-16-21-14-8-7-13-20(21)15-23(22)25/h1-17H/q+1
InChIKeyGCODSRODTKKNRD-UHFFFAOYSA-N
MW333.41 g/mol
LogP7.20
Rot. Bonds2

About 2,4-diphenylbenzo[g]chromen-1-ium

2,4-diphenylbenzo[g]chromen-1-ium (PubChem CID 134912167) has the molecular formula C25H17O+ and a molecular weight of 333.41 g/mol. Its IUPAC name is 2,4-diphenylbenzo[g]chromen-1-ium.

Molecular Properties

Compound Name2,4-diphenylbenzo[g]chromen-1-ium
PubChem CID134912167
Molecular FormulaC25H17O+
Molecular Weight333.41 g/mol
Exact Mass333.13
IUPAC Name2,4-diphenylbenzo[g]chromen-1-ium
SMILESc1ccc(-c2cc(-c3ccccc3)c3cc4ccccc4cc3[o+]2)cc1
InChIInChI=1S/C25H17O/c1-3-9-18(10-4-1)22-17-24(19-11-5-2-6-12-19)26-25-16-21-14-8-7-13-20(21)15-23(22)25/h1-17H/q+1
InChIKeyGCODSRODTKKNRD-UHFFFAOYSA-N
XLogP7.20
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.41
LogP ≤ 57.20
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_2', 'substructure': 'N/A'}

Analyze 2,4-diphenylbenzo[g]chromen-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

4,6-diphenyl-2-(4-phenylphenyl)chromenylium
CID 90472342
2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
CID 173204164
2-phenylchromenylium
CID 159562545
1,3-diphenylisochromenylium perchlorate
CID 12710912
1-(2-phenylphenyl)anthracene
CID 21435778
hydron;1-phenylanthracene
CID 174351162
1,2-diphenylpentacene
CID 22247158
6-methyl-2,4-diphenylbenzo[h]chromen-1-ium
CID 154717150
2-phenylchromenylium;hydrate
CID 172755683
3,14-bis(2-phenylphenyl)octacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 123433065
1,4,8,11-tetraphenylpentacene
CID 102295223
2-deuterio-1-phenylanthracene
CID 162719950

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenylbenzo[g]chromen-1-ium?
The IUPAC name of 2,4-diphenylbenzo[g]chromen-1-ium (CID 134912167) is 2,4-diphenylbenzo[g]chromen-1-ium.
What is the SMILES notation for 2,4-diphenylbenzo[g]chromen-1-ium?
The canonical SMILES for 2,4-diphenylbenzo[g]chromen-1-ium is c1ccc(-c2cc(-c3ccccc3)c3cc4ccccc4cc3[o+]2)cc1.
What is the InChIKey of 2,4-diphenylbenzo[g]chromen-1-ium?
The InChIKey is GCODSRODTKKNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17O/c1-3-9-18(10-4-1)22-17-24(19-11-5-2-6-12-19)26-25-16-21-14-8-7-13-20(21)15-23(22)25/h1-17H/q+1.
What are the key properties of 2,4-diphenylbenzo[g]chromen-1-ium?
2,4-diphenylbenzo[g]chromen-1-ium has a molecular weight of 333.41 g/mol, XLogP of 7.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenylbenzo[g]chromen-1-ium is sourced from PubChem (CID 134912167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).