9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine

C32H28N2 — CID 130326838

IUPAC9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine
SMILESCC1(C)c2ccccc2N(c2cccc(-c3cccnc3-c3ccccc3)c2)C2C=CC=CC21
InChIInChI=1S/C32H28N2/c1-32(2)27-17-6-8-19-29(27)34(30-20-9-7-18-28(30)32)25-15-10-14-24(22-25)26-16-11-21-33-31(26)23-12-4-3-5-13-23/h3-22,27,29H,1-2H3
InChIKeyQKLBRRCRYSBFPC-UHFFFAOYSA-N
MW440.59 g/mol
LogP7.96
Rot. Bonds3

About 9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine

9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine (PubChem CID 130326838) has the molecular formula C32H28N2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine.

Molecular Properties

Compound Name9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine
PubChem CID130326838
Molecular FormulaC32H28N2
Molecular Weight440.59 g/mol
Exact Mass440.23
IUPAC Name9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine
SMILESCC1(C)c2ccccc2N(c2cccc(-c3cccnc3-c3ccccc3)c2)C2C=CC=CC21
InChIInChI=1S/C32H28N2/c1-32(2)27-17-6-8-19-29(27)34(30-20-9-7-18-28(30)32)25-15-10-14-24(22-25)26-16-11-21-33-31(26)23-12-4-3-5-13-23/h3-22,27,29H,1-2H3
InChIKeyQKLBRRCRYSBFPC-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-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine
CID 130326840
10,10-dimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11,13,15-hexaene
CID 144782319
30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
CID 134428452
2-phenyl-3-[2-[2-(2-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 58947757
N-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90215962
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877
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
9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole
CID 134431507
10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine
CID 170073966
2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
CID 144729781
6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole
CID 121336184
3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146542714

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine?
The IUPAC name of 9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine (CID 130326838) is 9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine.
What is the SMILES notation for 9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine?
The canonical SMILES for 9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine is CC1(C)c2ccccc2N(c2cccc(-c3cccnc3-c3ccccc3)c2)C2C=CC=CC21.
What is the InChIKey of 9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine?
The InChIKey is QKLBRRCRYSBFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2/c1-32(2)27-17-6-8-19-29(27)34(30-20-9-7-18-28(30)32)25-15-10-14-24(22-25)26-16-11-21-33-31(26)23-12-4-3-5-13-23/h3-22,27,29H,1-2H3.
What are the key properties of 9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine?
9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)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-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine is sourced from PubChem (CID 130326838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).