2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate

C30H28BF4N — CID 74765996

IUPAC2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate
SMILESCc1cc(C)c(-c2c3cc(C)ccc3[n+](-c3ccccc3)c3ccc(C)cc23)c(C)c1.F[B-](F)(F)F
InChIInChI=1S/C30H28N.BF4/c1-19-11-13-27-25(17-19)30(29-22(4)15-21(3)16-23(29)5)26-18-20(2)12-14-28(26)31(27)24-9-7-6-8-10-24;2-1(3,4)5/h6-18H,1-5H3;/q+1;-1
InChIKeySBPUTXHOHXQDIT-UHFFFAOYSA-N
MW489.37 g/mol
LogP8.78
Rot. Bonds2

About 2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate

2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate (PubChem CID 74765996) has the molecular formula C30H28BF4N and a molecular weight of 489.37 g/mol. Its IUPAC name is 2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate.

Molecular Properties

Compound Name2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate
PubChem CID74765996
Molecular FormulaC30H28BF4N
Molecular Weight489.37 g/mol
Exact Mass489.23
IUPAC Name2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate
SMILESCc1cc(C)c(-c2c3cc(C)ccc3[n+](-c3ccccc3)c3ccc(C)cc23)c(C)c1.F[B-](F)(F)F
InChIInChI=1S/C30H28N.BF4/c1-19-11-13-27-25(17-19)30(29-22(4)15-21(3)16-23(29)5)26-18-20(2)12-14-28(26)31(27)24-9-7-6-8-10-24;2-1(3,4)5/h6-18H,1-5H3;/q+1;-1
InChIKeySBPUTXHOHXQDIT-UHFFFAOYSA-N
XLogP8.78
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.37
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate?
The IUPAC name of 2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate (CID 74765996) is 2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate.
What is the SMILES notation for 2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate?
The canonical SMILES for 2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate is Cc1cc(C)c(-c2c3cc(C)ccc3[n+](-c3ccccc3)c3ccc(C)cc23)c(C)c1.F[B-](F)(F)F.
What is the InChIKey of 2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate?
The InChIKey is SBPUTXHOHXQDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N.BF4/c1-19-11-13-27-25(17-19)30(29-22(4)15-21(3)16-23(29)5)26-18-20(2)12-14-28(26)31(27)24-9-7-6-8-10-24;2-1(3,4)5/h6-18H,1-5H3;/q+1;-1.
What are the key properties of 2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate?
2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate has a molecular weight of 489.37 g/mol, XLogP of 8.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate is sourced from PubChem (CID 74765996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).