9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine

C32H28N2 — CID 130326840

IUPAC9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine
SMILESCC1(C)c2ccccc2N(c2cccc(-c3cccc(-c4cccnc4)c3)c2)C2C=CC=CC21
InChIInChI=1S/C32H28N2/c1-32(2)28-15-3-5-17-30(28)34(31-18-6-4-16-29(31)32)27-14-8-12-25(21-27)23-10-7-11-24(20-23)26-13-9-19-33-22-26/h3-22,28,30H,1-2H3
InChIKeyPOLKKUGVEHTSHU-UHFFFAOYSA-N
MW440.59 g/mol
LogP7.96
Rot. Bonds3

About 9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine

9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine (PubChem CID 130326840) has the molecular formula C32H28N2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine.

Molecular Properties

Compound Name9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine
PubChem CID130326840
Molecular FormulaC32H28N2
Molecular Weight440.59 g/mol
Exact Mass440.23
IUPAC Name9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine
SMILESCC1(C)c2ccccc2N(c2cccc(-c3cccc(-c4cccnc4)c3)c2)C2C=CC=CC21
InChIInChI=1S/C32H28N2/c1-32(2)28-15-3-5-17-30(28)34(31-18-6-4-16-29(31)32)27-14-8-12-25(21-27)23-10-7-11-24(20-23)26-13-9-19-33-22-26/h3-22,28,30H,1-2H3
InChIKeyPOLKKUGVEHTSHU-UHFFFAOYSA-N
XLogP7.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine
CID 130326838
6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole
CID 121336184
N-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90215962
10-[14-[3-(9,9-dimethylfluoren-2-yl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-[14-[3-(9,9-dimethylfluoren-2-yl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-[14-[3-(9,9-dimethylfluoren-2-yl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-[14-[3-(9,9-dimethylfluoren-2-yl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 159019411
8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 138723192
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
3,3,24,24-tetramethyl-29-(3-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene
CID 130381885
9-phenyl-3-[9-(4-pyridin-3-ylphenyl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 129074552
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline
CID 129089081

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine?
The IUPAC name of 9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine (CID 130326840) is 9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine.
What is the SMILES notation for 9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine?
The canonical SMILES for 9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine is CC1(C)c2ccccc2N(c2cccc(-c3cccc(-c4cccnc4)c3)c2)C2C=CC=CC21.
What is the InChIKey of 9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine?
The InChIKey is POLKKUGVEHTSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2/c1-32(2)28-15-3-5-17-30(28)34(31-18-6-4-16-29(31)32)27-14-8-12-25(21-27)23-10-7-11-24(20-23)26-13-9-19-33-22-26/h3-22,28,30H,1-2H3.
What are the key properties of 9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine?
9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine has a molecular weight of 440.59 g/mol, XLogP of 7.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine is sourced from PubChem (CID 130326840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).