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

C28H24BF4N — CID 74766000

IUPAC10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate
SMILESCc1cc(C)c(-c2c3ccccc3[n+](-c3ccccc3)c3ccccc23)c(C)c1.F[B-](F)(F)F
InChIInChI=1S/C28H24N.BF4/c1-19-17-20(2)27(21(3)18-19)28-23-13-7-9-15-25(23)29(22-11-5-4-6-12-22)26-16-10-8-14-24(26)28;2-1(3,4)5/h4-18H,1-3H3;/q+1;-1
InChIKeyLGNMSOXRNBFBGX-UHFFFAOYSA-N
MW461.31 g/mol
LogP8.16
Rot. Bonds2

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

10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate (PubChem CID 74766000) has the molecular formula C28H24BF4N and a molecular weight of 461.31 g/mol. Its IUPAC name is 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate.

Molecular Properties

Compound Name10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate
PubChem CID74766000
Molecular FormulaC28H24BF4N
Molecular Weight461.31 g/mol
Exact Mass461.19
IUPAC Name10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate
SMILESCc1cc(C)c(-c2c3ccccc3[n+](-c3ccccc3)c3ccccc23)c(C)c1.F[B-](F)(F)F
InChIInChI=1S/C28H24N.BF4/c1-19-17-20(2)27(21(3)18-19)28-23-13-7-9-15-25(23)29(22-11-5-4-6-12-22)26-16-10-8-14-24(26)28;2-1(3,4)5/h4-18H,1-3H3;/q+1;-1
InChIKeyLGNMSOXRNBFBGX-UHFFFAOYSA-N
XLogP8.16
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.31
LogP ≤ 58.16
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'}

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Related Compounds

3-tert-butyl-6-methyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium
CID 134553232
3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol
CID 154709083
8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium-2-amine bromide
CID 142547329
2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate
CID 169409962
1-methoxy-3-N,3-N,6-N,6-N-tetramethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium-3,6-diamine
CID 142547319
5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene
CID 132969807
5,10-diphenylphenazine-5,10-diium
CID 72766780
9,20-bis(2,4,6-trimethylphenyl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 71816692
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
2,3,8-trimethyl-12-(4-methylphenyl)-5,11-diphenyl-6-(2,4,6-trimethylphenyl)tetracene
CID 162426532
2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate
CID 44888468
9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene
CID 58590120

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate?
The IUPAC name of 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate (CID 74766000) is 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate.
What is the SMILES notation for 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate?
The canonical SMILES for 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate is Cc1cc(C)c(-c2c3ccccc3[n+](-c3ccccc3)c3ccccc23)c(C)c1.F[B-](F)(F)F.
What is the InChIKey of 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate?
The InChIKey is LGNMSOXRNBFBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N.BF4/c1-19-17-20(2)27(21(3)18-19)28-23-13-7-9-15-25(23)29(22-11-5-4-6-12-22)26-16-10-8-14-24(26)28;2-1(3,4)5/h4-18H,1-3H3;/q+1;-1.
What are the key properties of 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate?
10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate has a molecular weight of 461.31 g/mol, XLogP of 8.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate is sourced from PubChem (CID 74766000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).