2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine

C115H83N13O2S2 — CID 160956737

IUPAC2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESCC1(C)c2ccccc2N(c2cc(-c3nc4ccccc4n3-c3ccccc3)cc(-c3nc4ccccc4n3-c3ccccc3)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3nc4ccccc4s3)cc(-c3nc4ccccc4s3)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3nc4cccnc4o3)cc(-c3nc4cccnc4o3)c2)c2ccccc21
InChIInChI=1S/C47H35N5.C35H25N3S2.C33H23N5O2/c1-47(2)37-21-9-13-25-41(37)50(42-26-14-10-22-38(42)47)36-30-32(45-48-39-23-11-15-27-43(39)51(45)34-17-5-3-6-18-34)29-33(31-36)46-49-40-24-12-16-28-44(40)52(46)35-19-7-4-8-20-35;1-35(2)25-11-3-7-15-29(25)38(30-16-8-4-12-26(30)35)24-20-22(33-36-27-13-5-9-17-31(27)39-33)19-23(21-24)34-37-28-14-6-10-18-32(28)40-34;1-33(2)23-9-3-5-13-27(23)38(28-14-6-4-10-24(28)33)22-18-20(29-36-25-11-7-15-34-31(25)39-29)17-21(19-22)30-37-26-12-8-16-35-32(26)40-30/h3-31H,1-2H3;3-21H,1-2H3;3-19H,1-2H3
InChIKeySWMGYJZQIPAKOY-UHFFFAOYSA-N
MW1743.15 g/mol
LogP30.36
Rot. Bonds11

About 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine

2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 160956737) has the molecular formula C115H83N13O2S2 and a molecular weight of 1743.15 g/mol. Its IUPAC name is 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID160956737
Molecular FormulaC115H83N13O2S2
Molecular Weight1743.15 g/mol
Exact Mass1741.62
IUPAC Name2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESCC1(C)c2ccccc2N(c2cc(-c3nc4ccccc4n3-c3ccccc3)cc(-c3nc4ccccc4n3-c3ccccc3)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3nc4ccccc4s3)cc(-c3nc4ccccc4s3)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3nc4cccnc4o3)cc(-c3nc4cccnc4o3)c2)c2ccccc21
InChIInChI=1S/C47H35N5.C35H25N3S2.C33H23N5O2/c1-47(2)37-21-9-13-25-41(37)50(42-26-14-10-22-38(42)47)36-30-32(45-48-39-23-11-15-27-43(39)51(45)34-17-5-3-6-18-34)29-33(31-36)46-49-40-24-12-16-28-44(40)52(46)35-19-7-4-8-20-35;1-35(2)25-11-3-7-15-29(25)38(30-16-8-4-12-26(30)35)24-20-22(33-36-27-13-5-9-17-31(27)39-33)19-23(21-24)34-37-28-14-6-10-18-32(28)40-34;1-33(2)23-9-3-5-13-27(23)38(28-14-6-4-10-24(28)33)22-18-20(29-36-25-11-7-15-34-31(25)39-29)17-21(19-22)30-37-26-12-8-16-35-32(26)40-30/h3-31H,1-2H3;3-21H,1-2H3;3-19H,1-2H3
InChIKeySWMGYJZQIPAKOY-UHFFFAOYSA-N
XLogP30.36
TPSA148.98 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001743.15
LogP ≤ 530.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine with MolForge

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Related Compounds

2-[6-(1,3-benzothiazol-2-yl)-3,8-bis(9,9-dimethylacridin-10-yl)phenanthren-1-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-3,8-bis(9,9-dimethylacridin-10-yl)phenanthren-1-yl]-1,3-benzoxazole;2-[1,6-bis(9,9-dimethylacridin-10-yl)-8-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenanthren-3-yl]-[1,3]oxazolo[5,4-b]pyridine;10-[6-(9,9-dimethylacridin-10-yl)-3,8-bis(1-phenylbenzimidazol-2-yl)phenanthren-1-yl]-9,9-dimethylacridine
CID 157063066
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
2-[3-(9,9-dimethylacridin-10-yl)-5-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 129148134
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole
CID 126731320
9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane
CID 158720213
2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-[1,3]thiazolo[4,5-b]pyridine
CID 159047395
9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine
CID 71007109
10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
CID 129148066
2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine
CID 161006828
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
10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;2-[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[4-(9,9-diphenylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;4-[2-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)imidazo[4,5-b]pyridin-1-yl]benzonitrile;4-[2-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)imidazo[4,5-c]pyridin-1-yl]benzonitrile
CID 159891955
2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 118532503

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 160956737) is 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is CC1(C)c2ccccc2N(c2cc(-c3nc4ccccc4n3-c3ccccc3)cc(-c3nc4ccccc4n3-c3ccccc3)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3nc4ccccc4s3)cc(-c3nc4ccccc4s3)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3nc4cccnc4o3)cc(-c3nc4cccnc4o3)c2)c2ccccc21.
What is the InChIKey of 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is SWMGYJZQIPAKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N5.C35H25N3S2.C33H23N5O2/c1-47(2)37-21-9-13-25-41(37)50(42-26-14-10-22-38(42)47)36-30-32(45-48-39-23-11-15-27-43(39)51(45)34-17-5-3-6-18-34)29-33(31-36)46-49-40-24-12-16-28-44(40)52(46)35-19-7-4-8-20-35;1-35(2)25-11-3-7-15-29(25)38(30-16-8-4-12-26(30)35)24-20-22(33-36-27-13-5-9-17-31(27)39-33)19-23(21-24)34-37-28-14-6-10-18-32(28)40-34;1-33(2)23-9-3-5-13-27(23)38(28-14-6-4-10-24(28)33)22-18-20(29-36-25-11-7-15-34-31(25)39-29)17-21(19-22)30-37-26-12-8-16-35-32(26)40-30/h3-31H,1-2H3;3-21H,1-2H3;3-19H,1-2H3.
What are the key properties of 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 1743.15 g/mol, XLogP of 30.36, 11 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 160956737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).