2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine

C39H36N4 — CID 171579859

IUPAC2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine
SMILESCC(C)(C)c1ccnc(N2c3ccccc3C(C)(C)c3ccc(-c4ccc5cccc(Nc6ccccc6)c5n4)cc32)c1
InChIInChI=1S/C39H36N4/c1-38(2,3)28-22-23-40-36(25-28)43-34-17-10-9-15-30(34)39(4,5)31-20-18-27(24-35(31)43)32-21-19-26-12-11-16-33(37(26)42-32)41-29-13-7-6-8-14-29/h6-25,41H,1-5H3
InChIKeyNYRRCCAHBZAOPF-UHFFFAOYSA-N
MW560.75 g/mol
LogP10.45
Rot. Bonds4

About 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine

2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine (PubChem CID 171579859) has the molecular formula C39H36N4 and a molecular weight of 560.75 g/mol. Its IUPAC name is 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine.

Molecular Properties

Compound Name2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine
PubChem CID171579859
Molecular FormulaC39H36N4
Molecular Weight560.75 g/mol
Exact Mass560.29
IUPAC Name2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine
SMILESCC(C)(C)c1ccnc(N2c3ccccc3C(C)(C)c3ccc(-c4ccc5cccc(Nc6ccccc6)c5n4)cc32)c1
InChIInChI=1S/C39H36N4/c1-38(2,3)28-22-23-40-36(25-28)43-34-17-10-9-15-30(34)39(4,5)31-20-18-27(24-35(31)43)32-21-19-26-12-11-16-33(37(26)42-32)41-29-13-7-6-8-14-29/h6-25,41H,1-5H3
InChIKeyNYRRCCAHBZAOPF-UHFFFAOYSA-N
XLogP10.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.75
LogP ≤ 510.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine with MolForge

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Related Compounds

2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol
CID 171579912
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-5-(2-phenylethynyl)quinolin-8-ol
CID 171580421
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile
CID 171579963
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]-7-phenylquinoline-8-thiol
CID 171580328
7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171580134
2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile
CID 171579740
3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinolin-5-ol
CID 171580330
3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol
CID 171579701
2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-7-(2-phenylethynyl)quinolin-8-ol
CID 171580248
2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol
CID 171580342
5-(dimethylamino)-2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171579788
10-(4-tert-butyl-2-pyridinyl)-14-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 126653688

Frequently Asked Questions

What is the IUPAC name of 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine?
The IUPAC name of 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine (CID 171579859) is 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine.
What is the SMILES notation for 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine?
The canonical SMILES for 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine is CC(C)(C)c1ccnc(N2c3ccccc3C(C)(C)c3ccc(-c4ccc5cccc(Nc6ccccc6)c5n4)cc32)c1.
What is the InChIKey of 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine?
The InChIKey is NYRRCCAHBZAOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36N4/c1-38(2,3)28-22-23-40-36(25-28)43-34-17-10-9-15-30(34)39(4,5)31-20-18-27(24-35(31)43)32-21-19-26-12-11-16-33(37(26)42-32)41-29-13-7-6-8-14-29/h6-25,41H,1-5H3.
What are the key properties of 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine?
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine has a molecular weight of 560.75 g/mol, XLogP of 10.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine is sourced from PubChem (CID 171579859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).