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

C33H25N3 — CID 146542724

IUPAC2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile
SMILESCC1(C)c2ccccc2N(c2cccc(-c3ccc(-c4cc(C#N)ccn4)cc3)c2)c2ccccc21
InChIInChI=1S/C33H25N3/c1-33(2)28-10-3-5-12-31(28)36(32-13-6-4-11-29(32)33)27-9-7-8-26(21-27)24-14-16-25(17-15-24)30-20-23(22-34)18-19-35-30/h3-21H,1-2H3
InChIKeyHCPHDDYYWQKYSM-UHFFFAOYSA-N
MW463.58 g/mol
LogP8.40
Rot. Bonds3

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

2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile (PubChem CID 146542724) has the molecular formula C33H25N3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile
PubChem CID146542724
Molecular FormulaC33H25N3
Molecular Weight463.58 g/mol
Exact Mass463.20
IUPAC Name2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile
SMILESCC1(C)c2ccccc2N(c2cccc(-c3ccc(-c4cc(C#N)ccn4)cc3)c2)c2ccccc21
InChIInChI=1S/C33H25N3/c1-33(2)28-10-3-5-12-31(28)36(32-13-6-4-11-29(32)33)27-9-7-8-26(21-27)24-14-16-25(17-15-24)30-20-23(22-34)18-19-35-30/h3-21H,1-2H3
InChIKeyHCPHDDYYWQKYSM-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-phenothiazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543302
3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146542714
6-[3-(9,9-dimethylacridin-10-yl)phenyl]pyridine-2-carbonitrile
CID 146543096
4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline
CID 89183043
2-[3-[2-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-4-carbonitrile
CID 146542824
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681
5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-12,12-dimethylbenzo[b]acridine
CID 163883087
4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile
CID 134579025
3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 121259013
2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine
CID 142356251
10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine
CID 134194170
9,9-dimethyl-7-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]fluorene-2-carbonitrile
CID 170371664

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile (CID 146542724) is 2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile is CC1(C)c2ccccc2N(c2cccc(-c3ccc(-c4cc(C#N)ccn4)cc3)c2)c2ccccc21.
What is the InChIKey of 2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile?
The InChIKey is HCPHDDYYWQKYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3/c1-33(2)28-10-3-5-12-31(28)36(32-13-6-4-11-29(32)33)27-9-7-8-26(21-27)24-14-16-25(17-15-24)30-20-23(22-34)18-19-35-30/h3-21H,1-2H3.
What are the key properties of 2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile?
2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-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 2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile is sourced from PubChem (CID 146542724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).