8,8-dimethyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium

C23H23O+ — CID 3796857

IUPAC8,8-dimethyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium
SMILESCC1(C)CCCc2c(-c3ccccc3)cc(-c3ccccc3)[o+]c21
InChIInChI=1S/C23H23O/c1-23(2)15-9-14-19-20(17-10-5-3-6-11-17)16-21(24-22(19)23)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3/q+1
InChIKeyABLLZPVTBUJBPN-UHFFFAOYSA-N
MW315.44 g/mol
LogP6.51
Rot. Bonds2

About 8,8-dimethyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium

8,8-dimethyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium (PubChem CID 3796857) has the molecular formula C23H23O+ and a molecular weight of 315.44 g/mol. Its IUPAC name is 8,8-dimethyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium.

Molecular Properties

Compound Name8,8-dimethyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium
PubChem CID3796857
Molecular FormulaC23H23O+
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name8,8-dimethyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium
SMILESCC1(C)CCCc2c(-c3ccccc3)cc(-c3ccccc3)[o+]c21
InChIInChI=1S/C23H23O/c1-23(2)15-9-14-19-20(17-10-5-3-6-11-17)16-21(24-22(19)23)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3/q+1
InChIKeyABLLZPVTBUJBPN-UHFFFAOYSA-N
XLogP6.51
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.44
LogP ≤ 56.51
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-2,4-diphenylbenzo[h]chromen-1-ium
CID 154717150
octakis(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-one);tetrakis(fluoro(dioxido)borane)
CID 173134246
2,4-diphenyl-5,6-dihydrobenzo[h]chromen-1-ium;fluoride;dihydrofluoride
CID 12872716
4,6-diphenyl-2-(4-phenylphenyl)chromenylium
CID 90472342
6,6,9,9,21,21-hexamethyl-4,26-diphenyl-12,18-dioxa-14,16-diaza-1-boraheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2,4,10,13,15,17(29),19,25,27-nonaene
CID 176602067
4-(4-methylphenyl)-2,3,6-triphenylpyrylium
CID 3459815
4-phenyl-1,2-dihydrocyclobuta[a]naphthalene
CID 163649392
4-methyl-2-phenylbenzo[h]chromen-1-ium
CID 142492639
4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 3321214
1,1-dimethyl-3,4-dihydro-2H-chrysene
CID 174256276
4,6-diphenyl-9-oxa-3-oxoniatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2(7),3,5,11,13,15,17-octaene
CID 3762975
1,3-diphenylisochromenylium perchlorate
CID 12710912

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium?
The IUPAC name of 8,8-dimethyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium (CID 3796857) is 8,8-dimethyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium.
What is the SMILES notation for 8,8-dimethyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium?
The canonical SMILES for 8,8-dimethyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium is CC1(C)CCCc2c(-c3ccccc3)cc(-c3ccccc3)[o+]c21.
What is the InChIKey of 8,8-dimethyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium?
The InChIKey is ABLLZPVTBUJBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23O/c1-23(2)15-9-14-19-20(17-10-5-3-6-11-17)16-21(24-22(19)23)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3/q+1.
What are the key properties of 8,8-dimethyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium?
8,8-dimethyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium has a molecular weight of 315.44 g/mol, XLogP of 6.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium is sourced from PubChem (CID 3796857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).