4,6-diphenyl-2-(4-phenylphenyl)chromenylium

C33H23O+ — CID 90472342

IUPAC4,6-diphenyl-2-(4-phenylphenyl)chromenylium
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)c4cc(-c5ccccc5)ccc4[o+]3)cc2)cc1
InChIInChI=1S/C33H23O/c1-4-10-24(11-5-1)26-16-18-28(19-17-26)33-23-30(27-14-8-3-9-15-27)31-22-29(20-21-32(31)34-33)25-12-6-2-7-13-25/h1-23H/q+1
InChIKeyJRRYRGNNWBIAIP-UHFFFAOYSA-N
MW435.55 g/mol
LogP9.38
Rot. Bonds4

About 4,6-diphenyl-2-(4-phenylphenyl)chromenylium

4,6-diphenyl-2-(4-phenylphenyl)chromenylium (PubChem CID 90472342) has the molecular formula C33H23O+ and a molecular weight of 435.55 g/mol. Its IUPAC name is 4,6-diphenyl-2-(4-phenylphenyl)chromenylium.

Molecular Properties

Compound Name4,6-diphenyl-2-(4-phenylphenyl)chromenylium
PubChem CID90472342
Molecular FormulaC33H23O+
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name4,6-diphenyl-2-(4-phenylphenyl)chromenylium
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)c4cc(-c5ccccc5)ccc4[o+]3)cc2)cc1
InChIInChI=1S/C33H23O/c1-4-10-24(11-5-1)26-16-18-28(19-17-26)33-23-30(27-14-8-3-9-15-27)31-22-29(20-21-32(31)34-33)25-12-6-2-7-13-25/h1-23H/q+1
InChIKeyJRRYRGNNWBIAIP-UHFFFAOYSA-N
XLogP9.38
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,6-diphenyl-2-(4-phenylphenyl)chromenylium 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

2,4-diphenylbenzo[g]chromen-1-ium
CID 134912167
1-phenyl-3,6,8-tris(4-phenylphenyl)pyrene
CID 59391253
4-(4-methylphenyl)-2,3,6-triphenylpyrylium
CID 3459815
2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501319
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
6-methyl-2,4-diphenylbenzo[h]chromen-1-ium
CID 154717150
4-tert-butyl-2-phenylchromenylium
CID 142492656
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
2,4-bis(4-fluorophenyl)-6-phenylpyrylium
CID 134911591
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-(4-phenylphenyl)chromenylium?
The IUPAC name of 4,6-diphenyl-2-(4-phenylphenyl)chromenylium (CID 90472342) is 4,6-diphenyl-2-(4-phenylphenyl)chromenylium.
What is the SMILES notation for 4,6-diphenyl-2-(4-phenylphenyl)chromenylium?
The canonical SMILES for 4,6-diphenyl-2-(4-phenylphenyl)chromenylium is c1ccc(-c2ccc(-c3cc(-c4ccccc4)c4cc(-c5ccccc5)ccc4[o+]3)cc2)cc1.
What is the InChIKey of 4,6-diphenyl-2-(4-phenylphenyl)chromenylium?
The InChIKey is JRRYRGNNWBIAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23O/c1-4-10-24(11-5-1)26-16-18-28(19-17-26)33-23-30(27-14-8-3-9-15-27)31-22-29(20-21-32(31)34-33)25-12-6-2-7-13-25/h1-23H/q+1.
What are the key properties of 4,6-diphenyl-2-(4-phenylphenyl)chromenylium?
4,6-diphenyl-2-(4-phenylphenyl)chromenylium has a molecular weight of 435.55 g/mol, XLogP of 9.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-(4-phenylphenyl)chromenylium is sourced from PubChem (CID 90472342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).