9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine

C39H44N4 — CID 140716309

IUPAC9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine
SMILESCc1cc(-c2ccc3c(c2)N(c2cccc(C(c4ccccn4)(C(C)(C)C)C(C)(C)C)c2)c2ccccc2C3(C)C)n[nH]1
InChIInChI=1S/C39H44N4/c1-26-23-32(42-41-26)27-20-21-31-34(24-27)43(33-18-11-10-17-30(33)38(31,8)9)29-16-14-15-28(25-29)39(36(2,3)4,37(5,6)7)35-19-12-13-22-40-35/h10-25H,1-9H3,(H,41,42)
InChIKeySSXSRPKVEVOFIY-UHFFFAOYSA-N
MW568.81 g/mol
LogP10.27
Rot. Bonds4

About 9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine

9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine (PubChem CID 140716309) has the molecular formula C39H44N4 and a molecular weight of 568.81 g/mol. Its IUPAC name is 9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine.

Molecular Properties

Compound Name9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine
PubChem CID140716309
Molecular FormulaC39H44N4
Molecular Weight568.81 g/mol
Exact Mass568.36
IUPAC Name9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine
SMILESCc1cc(-c2ccc3c(c2)N(c2cccc(C(c4ccccn4)(C(C)(C)C)C(C)(C)C)c2)c2ccccc2C3(C)C)n[nH]1
InChIInChI=1S/C39H44N4/c1-26-23-32(42-41-26)27-20-21-31-34(24-27)43(33-18-11-10-17-30(33)38(31,8)9)29-16-14-15-28(25-29)39(36(2,3)4,37(5,6)7)35-19-12-13-22-40-35/h10-25H,1-9H3,(H,41,42)
InChIKeySSXSRPKVEVOFIY-UHFFFAOYSA-N
XLogP10.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.81
LogP ≤ 510.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)acridine
CID 140717296
9,9-dimethyl-10-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-3-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)acridine
CID 140716784
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 140754815
3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 121259013
19-tert-butyl-5-(11-tert-butyl-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-18-yl)-12,12,16,16,22,22-hexamethyl-1,5,27-triazaheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23(28),24,26-dodecaene
CID 140754922
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-12,12-dimethylbenzo[b]acridine
CID 163883087
2-tert-butyl-9,9-dimethyl-10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]acridine
CID 154952703
8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine
CID 118668352
3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 140709598
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine
CID 171579859

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine?
The IUPAC name of 9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine (CID 140716309) is 9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine.
What is the SMILES notation for 9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine?
The canonical SMILES for 9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine is Cc1cc(-c2ccc3c(c2)N(c2cccc(C(c4ccccn4)(C(C)(C)C)C(C)(C)C)c2)c2ccccc2C3(C)C)n[nH]1.
What is the InChIKey of 9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine?
The InChIKey is SSXSRPKVEVOFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44N4/c1-26-23-32(42-41-26)27-20-21-31-34(24-27)43(33-18-11-10-17-30(33)38(31,8)9)29-16-14-15-28(25-29)39(36(2,3)4,37(5,6)7)35-19-12-13-22-40-35/h10-25H,1-9H3,(H,41,42).
What are the key properties of 9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine?
9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine has a molecular weight of 568.81 g/mol, XLogP of 10.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine is sourced from PubChem (CID 140716309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).