2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole

C43H29N3OS — CID 160845402

IUPAC2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole
SMILESc1ccc(N2c3ccccc3C(c3cccc(Oc4cccc(-c5nc6ccccc6s5)c4)c3)(c3ccccn3)c3ccccc32)cc1
InChIInChI=1S/C43H29N3OS/c1-2-16-32(17-3-1)46-38-23-7-4-20-35(38)43(41-26-10-11-27-44-41,36-21-5-8-24-39(36)46)31-15-13-19-34(29-31)47-33-18-12-14-30(28-33)42-45-37-22-6-9-25-40(37)48-42/h1-29H
InChIKeyKDXZCMIUJLLNDJ-UHFFFAOYSA-N
MW635.79 g/mol
LogP11.32
Rot. Bonds6

About 2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole

2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole (PubChem CID 160845402) has the molecular formula C43H29N3OS and a molecular weight of 635.79 g/mol. Its IUPAC name is 2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole
PubChem CID160845402
Molecular FormulaC43H29N3OS
Molecular Weight635.79 g/mol
Exact Mass635.20
IUPAC Name2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole
SMILESc1ccc(N2c3ccccc3C(c3cccc(Oc4cccc(-c5nc6ccccc6s5)c4)c3)(c3ccccn3)c3ccccc32)cc1
InChIInChI=1S/C43H29N3OS/c1-2-16-32(17-3-1)46-38-23-7-4-20-35(38)43(41-26-10-11-27-44-41,36-21-5-8-24-39(36)46)31-15-13-19-34(29-31)47-33-18-12-14-30(28-33)42-45-37-22-6-9-25-40(37)48-42/h1-29H
InChIKeyKDXZCMIUJLLNDJ-UHFFFAOYSA-N
XLogP11.32
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.79
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
CID 158345600
9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
CID 158597634
2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 140607089
10-phenyl-9,9-dipyridin-2-ylacridine
CID 58029185
9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
CID 158415835
2-[3-(1,3-benzothiazol-2-yl)-5-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole
CID 164783470
4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine
CID 158341283
9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
CID 158527534
2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 118335132
N,N-dimethyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine
CID 158983863
2-[3-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole
CID 129148175
10-[3-[2,4-bis[3-(1,3-benzothiazol-2-yl)phenyl]-3-(3-phenothiazin-10-ylphenyl)-5,6-diphenylphenyl]phenyl]phenothiazine
CID 164705957

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole (CID 160845402) is 2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole is c1ccc(N2c3ccccc3C(c3cccc(Oc4cccc(-c5nc6ccccc6s5)c4)c3)(c3ccccn3)c3ccccc32)cc1.
What is the InChIKey of 2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole?
The InChIKey is KDXZCMIUJLLNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3OS/c1-2-16-32(17-3-1)46-38-23-7-4-20-35(38)43(41-26-10-11-27-44-41,36-21-5-8-24-39(36)46)31-15-13-19-34(29-31)47-33-18-12-14-30(28-33)42-45-37-22-6-9-25-40(37)48-42/h1-29H.
What are the key properties of 2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole?
2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole has a molecular weight of 635.79 g/mol, XLogP of 11.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 160845402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).