4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile

C46H34N2 — CID 155298681

IUPAC4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
SMILESCC1(C)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)c(-c4ccc(C#N)cc4)cc3-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C46H34N2/c1-46(2)42-17-9-11-19-44(42)48(45-20-12-10-18-43(45)46)37-27-25-36(26-28-37)41-30-38(33-13-5-3-6-14-33)40(35-23-21-32(31-47)22-24-35)29-39(41)34-15-7-4-8-16-34/h3-30H,1-2H3
InChIKeyIIZLYOYKGGAAQM-UHFFFAOYSA-N
MW614.79 g/mol
LogP12.34
Rot. Bonds5

About 4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile

4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile (PubChem CID 155298681) has the molecular formula C46H34N2 and a molecular weight of 614.79 g/mol. Its IUPAC name is 4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
PubChem CID155298681
Molecular FormulaC46H34N2
Molecular Weight614.79 g/mol
Exact Mass614.27
IUPAC Name4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
SMILESCC1(C)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)c(-c4ccc(C#N)cc4)cc3-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C46H34N2/c1-46(2)42-17-9-11-19-44(42)48(45-20-12-10-18-43(45)46)37-27-25-36(26-28-37)41-30-38(33-13-5-3-6-14-33)40(35-23-21-32(31-47)22-24-35)29-39(41)34-15-7-4-8-16-34/h3-30H,1-2H3
InChIKeyIIZLYOYKGGAAQM-UHFFFAOYSA-N
XLogP12.34
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile
CID 134579025
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile
CID 122435842
2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile
CID 146653910
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
4-(9,9-diphenylacridin-10-yl)benzonitrile
CID 59470082
4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile
CID 140910428
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione
CID 130395517
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline
CID 130396225

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile?
The IUPAC name of 4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile (CID 155298681) is 4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile.
What is the SMILES notation for 4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile?
The canonical SMILES for 4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile is CC1(C)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)c(-c4ccc(C#N)cc4)cc3-c3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile?
The InChIKey is IIZLYOYKGGAAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2/c1-46(2)42-17-9-11-19-44(42)48(45-20-12-10-18-43(45)46)37-27-25-36(26-28-37)41-30-38(33-13-5-3-6-14-33)40(35-23-21-32(31-47)22-24-35)29-39(41)34-15-7-4-8-16-34/h3-30H,1-2H3.
What are the key properties of 4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile?
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile has a molecular weight of 614.79 g/mol, XLogP of 12.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile is sourced from PubChem (CID 155298681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).