3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile

C33H25N3 — CID 146542714

IUPAC3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
SMILESCC1(C)c2ccccc2N(c2cccc(-c3ccc(-c4cccnc4C#N)cc3)c2)c2ccccc21
InChIInChI=1S/C33H25N3/c1-33(2)28-12-3-5-14-31(28)36(32-15-6-4-13-29(32)33)26-10-7-9-25(21-26)23-16-18-24(19-17-23)27-11-8-20-35-30(27)22-34/h3-21H,1-2H3
InChIKeyLCQJNJZAXDSVIW-UHFFFAOYSA-N
MW463.58 g/mol
LogP8.40
Rot. Bonds3

About 3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile

3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile (PubChem CID 146542714) has the molecular formula C33H25N3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
PubChem CID146542714
Molecular FormulaC33H25N3
Molecular Weight463.58 g/mol
Exact Mass463.20
IUPAC Name3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
SMILESCC1(C)c2ccccc2N(c2cccc(-c3ccc(-c4cccnc4C#N)cc3)c2)c2ccccc21
InChIInChI=1S/C33H25N3/c1-33(2)28-12-3-5-14-31(28)36(32-15-6-4-13-29(32)33)26-10-7-9-25(21-26)23-16-18-24(19-17-23)27-11-8-20-35-30(27)22-34/h3-21H,1-2H3
InChIKeyLCQJNJZAXDSVIW-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

2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile
CID 146542724
3-[3-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146542766
6-[3-(9,9-dimethylacridin-10-yl)phenyl]pyridine-2-carbonitrile
CID 146543096
CID 163675182
CID 163675182
10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine
CID 134194170
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681
5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543342
4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline
CID 89183043
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-12,12-dimethylbenzo[b]acridine
CID 163883087
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile (CID 146542714) is 3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile is CC1(C)c2ccccc2N(c2cccc(-c3ccc(-c4cccnc4C#N)cc3)c2)c2ccccc21.
What is the InChIKey of 3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile?
The InChIKey is LCQJNJZAXDSVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3/c1-33(2)28-12-3-5-14-31(28)36(32-15-6-4-13-29(32)33)26-10-7-9-25(21-26)23-16-18-24(19-17-23)27-11-8-20-35-30(27)22-34/h3-21H,1-2H3.
What are the key properties of 3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile?
3-[4-[3-(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 3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 146542714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).