5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile

C33H25N3 — CID 146543342

IUPAC5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
SMILESCC1(C)c2ccccc2N(c2ccccc2-c2cccc(-c3ccc(C#N)nc3)c2)c2ccccc21
InChIInChI=1S/C33H25N3/c1-33(2)28-13-4-7-16-31(28)36(32-17-8-5-14-29(32)33)30-15-6-3-12-27(30)24-11-9-10-23(20-24)25-18-19-26(21-34)35-22-25/h3-20,22H,1-2H3
InChIKeyYBRWLBOBYMYWPR-UHFFFAOYSA-N
MW463.58 g/mol
LogP8.40
Rot. Bonds3

About 5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile

5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile (PubChem CID 146543342) has the molecular formula C33H25N3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
PubChem CID146543342
Molecular FormulaC33H25N3
Molecular Weight463.58 g/mol
Exact Mass463.20
IUPAC Name5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
SMILESCC1(C)c2ccccc2N(c2ccccc2-c2cccc(-c3ccc(C#N)nc3)c2)c2ccccc21
InChIInChI=1S/C33H25N3/c1-33(2)28-13-4-7-16-31(28)36(32-17-8-5-14-29(32)33)30-15-6-3-12-27(30)24-11-9-10-23(20-24)25-18-19-26(21-34)35-22-25/h3-20,22H,1-2H3
InChIKeyYBRWLBOBYMYWPR-UHFFFAOYSA-N
XLogP8.40
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[2-[7-[2-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylacridine
CID 130438692
5-[2-(10-phenylphenazin-5-yl)phenyl]pyridine-2-carbonitrile
CID 146543497
3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146542714
10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine
CID 153320402
6-[3-(9,9-dimethylacridin-10-yl)phenyl]pyridine-2-carbonitrile
CID 146543096
10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine
CID 70936023
2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile
CID 146542724
2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile
CID 146653910
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-9,9-dimethylacridine
CID 153460374
5-[4-(3-carbazol-9-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146543012
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681
2-(9,9-dimethylacridin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413810

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile (CID 146543342) is 5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile is CC1(C)c2ccccc2N(c2ccccc2-c2cccc(-c3ccc(C#N)nc3)c2)c2ccccc21.
What is the InChIKey of 5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile?
The InChIKey is YBRWLBOBYMYWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3/c1-33(2)28-13-4-7-16-31(28)36(32-17-8-5-14-29(32)33)30-15-6-3-12-27(30)24-11-9-10-23(20-24)25-18-19-26(21-34)35-22-25/h3-20,22H,1-2H3.
What are the key properties of 5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile?
5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile has a molecular weight of 463.58 g/mol, XLogP of 8.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 146543342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).