9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine

C33H28BrN3 — CID 123742097

IUPAC9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine
SMILESCc1cc(C)c(N2c3ccccc3C(c3cccc(C)n3)(c3cccc(Br)n3)c3ccccc32)c(C)c1
InChIInChI=1S/C33H28BrN3/c1-21-19-22(2)32(23(3)20-21)37-27-14-7-5-12-25(27)33(26-13-6-8-15-28(26)37,29-16-9-11-24(4)35-29)30-17-10-18-31(34)36-30/h5-20H,1-4H3
InChIKeyDDMSXZCTKVFGFX-UHFFFAOYSA-N
MW546.51 g/mol
LogP8.64
Rot. Bonds3

About 9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine

9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine (PubChem CID 123742097) has the molecular formula C33H28BrN3 and a molecular weight of 546.51 g/mol. Its IUPAC name is 9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine.

Molecular Properties

Compound Name9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine
PubChem CID123742097
Molecular FormulaC33H28BrN3
Molecular Weight546.51 g/mol
Exact Mass545.15
IUPAC Name9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine
SMILESCc1cc(C)c(N2c3ccccc3C(c3cccc(C)n3)(c3cccc(Br)n3)c3ccccc32)c(C)c1
InChIInChI=1S/C33H28BrN3/c1-21-19-22(2)32(23(3)20-21)37-27-14-7-5-12-25(27)33(26-13-6-8-15-28(26)37,29-16-9-11-24(4)35-29)30-17-10-18-31(34)36-30/h5-20H,1-4H3
InChIKeyDDMSXZCTKVFGFX-UHFFFAOYSA-N
XLogP8.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.51
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine
CID 90268718
2-[9-(10H-benzo[h]quinolin-10-id-2-yl)-10-(2,4,6-trimethylphenyl)acridin-9-yl]-10H-benzo[h]quinolin-10-ide;platinum(2+)
CID 140824313
10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one
CID 89409704
10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine
CID 134194197
10-phenyl-9,9-bis(6-phenyl-2-pyridinyl)acridine
CID 71261593
12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine
CID 59573636
5,7-dimethylspiro[9-azaoctacyclo[15.11.1.12,26.03,8.09,29.010,15.019,28.022,27]triaconta-1(28),2(30),3,5,7,10,12,14,17(29),18,20,22(27),23,25-tetradecaene-16,9'-xanthene]
CID 123954219
3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine
CID 59573436
12,12,28,28-tetramethyl-18,22-bis(2,4,6-trimethylphenyl)-1,5-diaza-18,22-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene
CID 155605463
9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine
CID 118232016
2-[3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-2-yl]-6-[9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]fluoren-9-yl]pyridine
CID 170514538
9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol
CID 121295185

Frequently Asked Questions

What is the IUPAC name of 9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine?
The IUPAC name of 9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine (CID 123742097) is 9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine.
What is the SMILES notation for 9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine?
The canonical SMILES for 9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine is Cc1cc(C)c(N2c3ccccc3C(c3cccc(C)n3)(c3cccc(Br)n3)c3ccccc32)c(C)c1.
What is the InChIKey of 9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine?
The InChIKey is DDMSXZCTKVFGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28BrN3/c1-21-19-22(2)32(23(3)20-21)37-27-14-7-5-12-25(27)33(26-13-6-8-15-28(26)37,29-16-9-11-24(4)35-29)30-17-10-18-31(34)36-30/h5-20H,1-4H3.
What are the key properties of 9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine?
9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine has a molecular weight of 546.51 g/mol, XLogP of 8.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine is sourced from PubChem (CID 123742097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).