10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine

C46H37N5 — CID 163749587

IUPAC10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccn4)c(-c4ccccn4)n3-c3ccc(C4C=CC=CC4)cc3)cc2)c2ccccc21
InChIInChI=1S/C46H37N5/c1-46(2)37-16-6-8-20-41(37)50(42-21-9-7-17-38(42)46)35-28-24-34(25-29-35)45-49-43(39-18-10-12-30-47-39)44(40-19-11-13-31-48-40)51(45)36-26-22-33(23-27-36)32-14-4-3-5-15-32/h3-14,16-32H,15H2,1-2H3
InChIKeyLOVWKLMCNWSTNC-UHFFFAOYSA-N
MW659.84 g/mol
LogP11.37
Rot. Bonds6

About 10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine

10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine (PubChem CID 163749587) has the molecular formula C46H37N5 and a molecular weight of 659.84 g/mol. Its IUPAC name is 10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine
PubChem CID163749587
Molecular FormulaC46H37N5
Molecular Weight659.84 g/mol
Exact Mass659.30
IUPAC Name10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccn4)c(-c4ccccn4)n3-c3ccc(C4C=CC=CC4)cc3)cc2)c2ccccc21
InChIInChI=1S/C46H37N5/c1-46(2)37-16-6-8-20-41(37)50(42-21-9-7-17-38(42)46)35-28-24-34(25-29-35)45-49-43(39-18-10-12-30-47-39)44(40-19-11-13-31-48-40)51(45)36-26-22-33(23-27-36)32-14-4-3-5-15-32/h3-14,16-32H,15H2,1-2H3
InChIKeyLOVWKLMCNWSTNC-UHFFFAOYSA-N
XLogP11.37
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.84
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine
CID 154952703
10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 154952867
acetic acid;4-(9,9-dimethylacridin-10-yl)benzaldehyde;9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine;1,2-dipyridin-2-ylethane-1,2-dione
CID 157475136
10-[4-[5-cyclohexa-2,4-dien-1-yl-1-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-9,9-dimethylacridine
CID 145050381
10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine
CID 147241998
10-[4-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylacridine
CID 163739156
2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole
CID 144788426
3-(4-tert-butylphenyl)-5-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-1,2,4-triazole
CID 126683039
9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane
CID 158720213
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244961

Frequently Asked Questions

What is the IUPAC name of 10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine (CID 163749587) is 10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccn4)c(-c4ccccn4)n3-c3ccc(C4C=CC=CC4)cc3)cc2)c2ccccc21.
What is the InChIKey of 10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine?
The InChIKey is LOVWKLMCNWSTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37N5/c1-46(2)37-16-6-8-20-41(37)50(42-21-9-7-17-38(42)46)35-28-24-34(25-29-35)45-49-43(39-18-10-12-30-47-39)44(40-19-11-13-31-48-40)51(45)36-26-22-33(23-27-36)32-14-4-3-5-15-32/h3-14,16-32H,15H2,1-2H3.
What are the key properties of 10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine?
10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine has a molecular weight of 659.84 g/mol, XLogP of 11.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 163749587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).