2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine

C44H39N5 — CID 154952703

IUPAC2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1ccccc1N2c1ccc(-c2nc(-c3ccccn3)c(-c3ccccn3)n2-c2ccccc2)cc1
InChIInChI=1S/C44H39N5/c1-43(2,3)31-23-26-39-35(29-31)44(4,5)34-17-9-10-20-38(34)48(39)33-24-21-30(22-25-33)42-47-40(36-18-11-13-27-45-36)41(37-19-12-14-28-46-37)49(42)32-15-7-6-8-16-32/h6-29H,1-5H3
InChIKeyUFDTZPIPRCLKJD-UHFFFAOYSA-N
MW637.83 g/mol
LogP11.07
Rot. Bonds5

About 2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine

2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine (PubChem CID 154952703) has the molecular formula C44H39N5 and a molecular weight of 637.83 g/mol. Its IUPAC name is 2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine.

Molecular Properties

Compound Name2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine
PubChem CID154952703
Molecular FormulaC44H39N5
Molecular Weight637.83 g/mol
Exact Mass637.32
IUPAC Name2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1ccccc1N2c1ccc(-c2nc(-c3ccccn3)c(-c3ccccn3)n2-c2ccccc2)cc1
InChIInChI=1S/C44H39N5/c1-43(2,3)31-23-26-39-35(29-31)44(4,5)34-17-9-10-20-38(34)48(39)33-24-21-30(22-25-33)42-47-40(36-18-11-13-27-45-36)41(37-19-12-14-28-46-37)49(42)32-15-7-6-8-16-32/h6-29H,1-5H3
InChIKeyUFDTZPIPRCLKJD-UHFFFAOYSA-N
XLogP11.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.83
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine
CID 163749587
10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine
CID 147241998
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
CID 135248210
9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane
CID 158720213
2,7-ditert-butyl-9,9-dimethyl-10-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;2,7-ditert-butyl-9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;2,7-ditert-butyl-9,9-dimethyl-10-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]acridine;2,7-ditert-butyl-9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]acridine
CID 158179456
2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine
CID 58384128
2,7-ditert-butyl-10-[7-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-2-yl]-9,9-dimethylacridine
CID 58384126
14,14-dimethyl-10-phenyl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66805197
9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine
CID 71007192

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine?
The IUPAC name of 2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine (CID 154952703) is 2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine.
What is the SMILES notation for 2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine?
The canonical SMILES for 2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine is CC(C)(C)c1ccc2c(c1)C(C)(C)c1ccccc1N2c1ccc(-c2nc(-c3ccccn3)c(-c3ccccn3)n2-c2ccccc2)cc1.
What is the InChIKey of 2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine?
The InChIKey is UFDTZPIPRCLKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H39N5/c1-43(2,3)31-23-26-39-35(29-31)44(4,5)34-17-9-10-20-38(34)48(39)33-24-21-30(22-25-33)42-47-40(36-18-11-13-27-45-36)41(37-19-12-14-28-46-37)49(42)32-15-7-6-8-16-32/h6-29H,1-5H3.
What are the key properties of 2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine?
2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine has a molecular weight of 637.83 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine is sourced from PubChem (CID 154952703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).