2-tert-butyl-1,3-benzothiazole;5,5-dimethylbenzo[b][1]benzosilole;9,9-dimethyl-10-phenylacridine;heptakis(2,2-dimethylpropane);9,9-dimethylxanthene;bis(5,5-diphenylbenzo[b][1]benzosilole);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;toluene

C184H214N4O2S2Si3 — CID 157181715

IUPAC2-tert-butyl-1,3-benzothiazole;5,5-dimethylbenzo[b][1]benzosilole;9,9-dimethyl-10-phenylacridine;heptakis(2,2-dimethylpropane);9,9-dimethylxanthene;bis(5,5-diphenylbenzo[b][1]benzosilole);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;toluene
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1nc2ccccc2s1.CC1(C)c2ccccc2N(c2ccccc2)c2ccccc21.CC1(C)c2ccccc2Oc2ccccc21.C[Si]1(C)c2ccccc2-c2ccccc21.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3s2)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/2C24H18Si.C21H19N.C15H14O.C14H14Si.C13H9NO.C13H9NS.C11H13NS.2C7H8.7C5H12/c2*1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-21(2)17-12-6-8-14-19(17)22(16-10-4-3-5-11-16)20-15-9-7-13-18(20)21;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;2*1-7-5-3-2-4-6-7;7*1-5(2,3)4/h2*1-18H;3-15H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;2*1-9H;4-7H,1-3H3;2*2-6H,1H3;7*1-4H3
InChIKeyAOQJNYOFSKCMPD-UHFFFAOYSA-N
MW2662.15 g/mol
LogP47.90
Rot. Bonds7

About 2-tert-butyl-1,3-benzothiazole;5,5-dimethylbenzo[b][1]benzosilole;9,9-dimethyl-10-phenylacridine;heptakis(2,2-dimethylpropane);9,9-dimethylxanthene;bis(5,5-diphenylbenzo[b][1]benzosilole);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;toluene

2-tert-butyl-1,3-benzothiazole;5,5-dimethylbenzo[b][1]benzosilole;9,9-dimethyl-10-phenylacridine;heptakis(2,2-dimethylpropane);9,9-dimethylxanthene;bis(5,5-diphenylbenzo[b][1]benzosilole);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;toluene (PubChem CID 157181715) has the molecular formula C184H214N4O2S2Si3 and a molecular weight of 2662.15 g/mol. Its IUPAC name is 2-tert-butyl-1,3-benzothiazole;5,5-dimethylbenzo[b][1]benzosilole;9,9-dimethyl-10-phenylacridine;heptakis(2,2-dimethylpropane);9,9-dimethylxanthene;bis(5,5-diphenylbenzo[b][1]benzosilole);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;toluene.

Molecular Properties

Compound Name2-tert-butyl-1,3-benzothiazole;5,5-dimethylbenzo[b][1]benzosilole;9,9-dimethyl-10-phenylacridine;heptakis(2,2-dimethylpropane);9,9-dimethylxanthene;bis(5,5-diphenylbenzo[b][1]benzosilole);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;toluene
PubChem CID157181715
Molecular FormulaC184H214N4O2S2Si3
Molecular Weight2662.15 g/mol
Exact Mass2659.55
IUPAC Name2-tert-butyl-1,3-benzothiazole;5,5-dimethylbenzo[b][1]benzosilole;9,9-dimethyl-10-phenylacridine;heptakis(2,2-dimethylpropane);9,9-dimethylxanthene;bis(5,5-diphenylbenzo[b][1]benzosilole);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;toluene
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1nc2ccccc2s1.CC1(C)c2ccccc2N(c2ccccc2)c2ccccc21.CC1(C)c2ccccc2Oc2ccccc21.C[Si]1(C)c2ccccc2-c2ccccc21.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3s2)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/2C24H18Si.C21H19N.C15H14O.C14H14Si.C13H9NO.C13H9NS.C11H13NS.2C7H8.7C5H12/c2*1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-21(2)17-12-6-8-14-19(17)22(16-10-4-3-5-11-16)20-15-9-7-13-18(20)21;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;2*1-7-5-3-2-4-6-7;7*1-5(2,3)4/h2*1-18H;3-15H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;2*1-9H;4-7H,1-3H3;2*2-6H,1H3;7*1-4H3
InChIKeyAOQJNYOFSKCMPD-UHFFFAOYSA-N
XLogP47.90
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms195
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002662.15
LogP ≤ 547.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-tert-butyl-1,3-benzothiazole;5,5-dimethylbenzo[b][1]benzosilole;9,9-dimethyl-10-phenylacridine;heptakis(2,2-dimethylpropane);9,9-dimethylxanthene;bis(5,5-diphenylbenzo[b][1]benzosilole);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;toluene with MolForge

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Related Compounds

5-methyl-2-(2-methylphenyl)-1,3-benzothiazole;5-methyl-2-phenyl-1,3-benzothiazole;5-methyl-2-phenyl-1,3-benzoxazole;bis(6-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole)
CID 157941746
1,3-Benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;1,3-benzothiazol-2-yl-dimethyl-phenylsilane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-phenyl-1,3-benzoxazol-2-yl)silane;dimethyl-naphthalen-2-yl-(6-phenyl-1,3-benzoxazol-2-yl)silane;dimethyl-naphthalen-1-yl-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-naphthalen-2-yl-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(6-phenyl-1,3-benzothiazol-2-yl)-(4-phenylphenyl)silane
CID 160326364
2-[5-[3,5-Bis[5-(5-cyclohexyl-1,3-benzoxazol-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]-5-cyclohexyl-1,3-benzoxazole
CID 22960128
2-Methyl-5-[2-[4-[4-[6-[4-(4-methylphenyl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole
CID 57957980
2-[22-(1,3-Benzothiazol-2-yl)-5,5,15,15,25,25-hexamethyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl]-1,3-benzoxazole
CID 59413449
2-(2-Methylphenyl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole
CID 68817061
2-[14-[4-(1,3-Benzothiazol-2-yl)phenyl]-10,10-dimethyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),7,11,13,15,17,19-nonaenyl]-1,3-benzoxazole
CID 89092128
3-Ethyl-2-[[3-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole;2-[2-[2-[(3-methyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]ethanesulfonate
CID 90871861
3-[[4-(N-[4-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-4-methylanilino)phenyl]methyl]-N-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N-phenylaniline
CID 123180256
2,6-Bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole
CID 126731309
10-[3-(1,3-Benzothiazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129148119
10-[5-(1,3-Benzothiazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129148121

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-benzothiazole;5,5-dimethylbenzo[b][1]benzosilole;9,9-dimethyl-10-phenylacridine;heptakis(2,2-dimethylpropane);9,9-dimethylxanthene;bis(5,5-diphenylbenzo[b][1]benzosilole);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;toluene?
The IUPAC name of 2-tert-butyl-1,3-benzothiazole;5,5-dimethylbenzo[b][1]benzosilole;9,9-dimethyl-10-phenylacridine;heptakis(2,2-dimethylpropane);9,9-dimethylxanthene;bis(5,5-diphenylbenzo[b][1]benzosilole);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;toluene (CID 157181715) is 2-tert-butyl-1,3-benzothiazole;5,5-dimethylbenzo[b][1]benzosilole;9,9-dimethyl-10-phenylacridine;heptakis(2,2-dimethylpropane);9,9-dimethylxanthene;bis(5,5-diphenylbenzo[b][1]benzosilole);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;toluene.
What is the SMILES notation for 2-tert-butyl-1,3-benzothiazole;5,5-dimethylbenzo[b][1]benzosilole;9,9-dimethyl-10-phenylacridine;heptakis(2,2-dimethylpropane);9,9-dimethylxanthene;bis(5,5-diphenylbenzo[b][1]benzosilole);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;toluene?
The canonical SMILES for 2-tert-butyl-1,3-benzothiazole;5,5-dimethylbenzo[b][1]benzosilole;9,9-dimethyl-10-phenylacridine;heptakis(2,2-dimethylpropane);9,9-dimethylxanthene;bis(5,5-diphenylbenzo[b][1]benzosilole);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;toluene is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1nc2ccccc2s1.CC1(C)c2ccccc2N(c2ccccc2)c2ccccc21.CC1(C)c2ccccc2Oc2ccccc21.C[Si]1(C)c2ccccc2-c2ccccc21.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3s2)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-tert-butyl-1,3-benzothiazole;5,5-dimethylbenzo[b][1]benzosilole;9,9-dimethyl-10-phenylacridine;heptakis(2,2-dimethylpropane);9,9-dimethylxanthene;bis(5,5-diphenylbenzo[b][1]benzosilole);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;toluene?
The InChIKey is AOQJNYOFSKCMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H18Si.C21H19N.C15H14O.C14H14Si.C13H9NO.C13H9NS.C11H13NS.2C7H8.7C5H12/c2*1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-21(2)17-12-6-8-14-19(17)22(16-10-4-3-5-11-16)20-15-9-7-13-18(20)21;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;2*1-7-5-3-2-4-6-7;7*1-5(2,3)4/h2*1-18H;3-15H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;2*1-9H;4-7H,1-3H3;2*2-6H,1H3;7*1-4H3.
What are the key properties of 2-tert-butyl-1,3-benzothiazole;5,5-dimethylbenzo[b][1]benzosilole;9,9-dimethyl-10-phenylacridine;heptakis(2,2-dimethylpropane);9,9-dimethylxanthene;bis(5,5-diphenylbenzo[b][1]benzosilole);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;toluene?
2-tert-butyl-1,3-benzothiazole;5,5-dimethylbenzo[b][1]benzosilole;9,9-dimethyl-10-phenylacridine;heptakis(2,2-dimethylpropane);9,9-dimethylxanthene;bis(5,5-diphenylbenzo[b][1]benzosilole);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;toluene has a molecular weight of 2662.15 g/mol, XLogP of 47.90, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-benzothiazole;5,5-dimethylbenzo[b][1]benzosilole;9,9-dimethyl-10-phenylacridine;heptakis(2,2-dimethylpropane);9,9-dimethylxanthene;bis(5,5-diphenylbenzo[b][1]benzosilole);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;toluene is sourced from PubChem (CID 157181715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).