10-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine

C35H27N5 — CID 146653981

IUPAC10-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccccc2-c2nc(-c3ccccn3)cc(-c3ccccn3)n2)c2ccccc21
InChIInChI=1S/C35H27N5/c1-35(2)25-14-4-7-19-32(25)40(33-20-8-5-15-26(33)35)31-18-6-3-13-24(31)34-38-29(27-16-9-11-21-36-27)23-30(39-34)28-17-10-12-22-37-28/h3-23H,1-2H3
InChIKeyRTEBBAZVUDGDQZ-UHFFFAOYSA-N
MW517.64 g/mol
LogP8.38
Rot. Bonds4

About 10-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine

10-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine (PubChem CID 146653981) has the molecular formula C35H27N5 and a molecular weight of 517.64 g/mol. Its IUPAC name is 10-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine
PubChem CID146653981
Molecular FormulaC35H27N5
Molecular Weight517.64 g/mol
Exact Mass517.23
IUPAC Name10-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccccc2-c2nc(-c3ccccn3)cc(-c3ccccn3)n2)c2ccccc21
InChIInChI=1S/C35H27N5/c1-35(2)25-14-4-7-19-32(25)40(33-20-8-5-15-26(33)35)31-18-6-3-13-24(31)34-38-29(27-16-9-11-21-36-27)23-30(39-34)28-17-10-12-22-37-28/h3-23H,1-2H3
InChIKeyRTEBBAZVUDGDQZ-UHFFFAOYSA-N
XLogP8.38
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.64
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 146653899
5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-12,12-dimethylbenzo[b]acridine
CID 163883087
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
10-[8-(9,9-dimethylacridin-10-yl)quinoxalin-5-yl]-9,9-dimethylacridine
CID 121327146
10-[2-[7-[2-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylacridine
CID 130438692
29-(2,6-dipyridin-2-yl-4-pyridinyl)-7,22,22,33,33-pentamethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 162176987
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine
CID 168777700
3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole
CID 146654347
10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine
CID 153287580
4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine
CID 166685227
2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine
CID 122415950
4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2-phenyl-6-pyridin-2-ylpyrimidine
CID 166995778

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine (CID 146653981) is 10-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccccc2-c2nc(-c3ccccn3)cc(-c3ccccn3)n2)c2ccccc21.
What is the InChIKey of 10-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine?
The InChIKey is RTEBBAZVUDGDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N5/c1-35(2)25-14-4-7-19-32(25)40(33-20-8-5-15-26(33)35)31-18-6-3-13-24(31)34-38-29(27-16-9-11-21-36-27)23-30(39-34)28-17-10-12-22-37-28/h3-23H,1-2H3.
What are the key properties of 10-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine?
10-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine has a molecular weight of 517.64 g/mol, XLogP of 8.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 146653981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).