benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[f][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane;dimethyl-(4-methylphenyl)-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(4-phenylphenyl)-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane

C131H129F9N6O3S3Si9 — CID 159730650

About benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[f][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane;dimethyl-(4-methylphenyl)-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(4-phenylphenyl)-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane

benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[f][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane;dimethyl-(4-methylphenyl)-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(4-phenylphenyl)-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane (PubChem CID 159730650) has the molecular formula C131H129F9N6O3S3Si9 and a molecular weight of 2355.47 g/mol. Its IUPAC name is benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[f][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane;dimethyl-(4-methylphenyl)-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(4-phenylphenyl)-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane.

Molecular Properties

• Compound Name: benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[f][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane;dimethyl-(4-methylphenyl)-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(4-phenylphenyl)-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane
• PubChem CID: 159730650
• Molecular Formula: C131H129F9N6O3S3Si9
• Molecular Weight: 2355.47 g/mol
• Exact Mass: 2352.71
• IUPAC Name: benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[f][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane;dimethyl-(4-methylphenyl)-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(4-phenylphenyl)-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane
• SMILES: C[Si](C)(C)c1ccc2nc([Si](C)(C)c3ccc(-c4ccccc4)cc3)oc2c1.C[Si](C)(C)c1ccc2nc([Si](C)(C)c3ccc(C(F)(F)F)c(C(F)(F)F)c3)oc2c1.C[Si](C)(c1ccc(-c2ccccc2)cc1)c1nc2cc3ccccc3cc2o1.C[Si](C)(c1ccc(C(F)(F)F)cc1)c1nc2cc3ccccc3cc2s1.C[Si](C)(c1nc2cc3ccccc3cc2s1)c1cccc2ccccc12.Cc1ccc([Si](C)(C)c2nc3ccc([Si](C)(C)C)cc3s2)cc1
• InChI: InChI=1S/C25H21NOSi.C24H27NOSi2.C23H19NSSi.C20H21F6NOSi2.C20H16F3NSSi.C19H25NSSi2/c1-28(2,22-14-12-19(13-15-22)18-8-4-3-5-9-18)25-26-23-16-20-10-6-7-11-21(20)17-24(23)27-25;1-27(2,3)21-15-16-22-23(17-21)26-24(25-22)28(4,5)20-13-11-19(12-14-20)18-9-7-6-8-10-18;1-26(2,22-13-7-11-16-8-5-6-12-19(16)22)23-24-20-14-17-9-3-4-10-18(17)15-21(20)25-23;1-29(2,3)12-7-9-16-17(11-12)28-18(27-16)30(4,5)13-6-8-14(19(21,22)23)15(10-13)20(24,25)26;1-26(2,16-9-7-15(8-10-16)20(21,22)23)19-24-17-11-13-5-3-4-6-14(13)12-18(17)25-19;1-14-7-9-15(10-8-14)23(5,6)19-20-17-12-11-16(22(2,3)4)13-18(17)21-19/h3-17H,1-2H3;6-17H,1-5H3;3-15H,1-2H3;6-11H,1-5H3;3-12H,1-2H3;7-13H,1-6H3
• InChIKey: NBEQYOCQDOLLPH-UHFFFAOYSA-N
• XLogP: 30.26
• TPSA: 116.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2355.47
LogP ≤ 5	30.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[f][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane;dimethyl-(4-methylphenyl)-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(4-phenylphenyl)-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane?

The IUPAC name of benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[f][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane;dimethyl-(4-methylphenyl)-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(4-phenylphenyl)-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane (CID 159730650) is benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[f][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane;dimethyl-(4-methylphenyl)-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(4-phenylphenyl)-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane.

What is the SMILES notation for benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[f][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane;dimethyl-(4-methylphenyl)-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(4-phenylphenyl)-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane?

The canonical SMILES for benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[f][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane;dimethyl-(4-methylphenyl)-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(4-phenylphenyl)-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane is C[Si](C)(C)c1ccc2nc([Si](C)(C)c3ccc(-c4ccccc4)cc3)oc2c1.C[Si](C)(C)c1ccc2nc([Si](C)(C)c3ccc(C(F)(F)F)c(C(F)(F)F)c3)oc2c1.C[Si](C)(c1ccc(-c2ccccc2)cc1)c1nc2cc3ccccc3cc2o1.C[Si](C)(c1ccc(C(F)(F)F)cc1)c1nc2cc3ccccc3cc2s1.C[Si](C)(c1nc2cc3ccccc3cc2s1)c1cccc2ccccc12.Cc1ccc([Si](C)(C)c2nc3ccc([Si](C)(C)C)cc3s2)cc1.

What is the InChIKey of benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[f][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane;dimethyl-(4-methylphenyl)-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(4-phenylphenyl)-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane?

The InChIKey is NBEQYOCQDOLLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NOSi.C24H27NOSi2.C23H19NSSi.C20H21F6NOSi2.C20H16F3NSSi.C19H25NSSi2/c1-28(2,22-14-12-19(13-15-22)18-8-4-3-5-9-18)25-26-23-16-20-10-6-7-11-21(20)17-24(23)27-25;1-27(2,3)21-15-16-22-23(17-21)26-24(25-22)28(4,5)20-13-11-19(12-14-20)18-9-7-6-8-10-18;1-26(2,22-13-7-11-16-8-5-6-12-19(16)22)23-24-20-14-17-9-3-4-10-18(17)15-21(20)25-23;1-29(2,3)12-7-9-16-17(11-12)28-18(27-16)30(4,5)13-6-8-14(19(21,22)23)15(10-13)20(24,25)26;1-26(2,16-9-7-15(8-10-16)20(21,22)23)19-24-17-11-13-5-3-4-6-14(13)12-18(17)25-19;1-14-7-9-15(10-8-14)23(5,6)19-20-17-12-11-16(22(2,3)4)13-18(17)21-19/h3-17H,1-2H3;6-17H,1-5H3;3-15H,1-2H3;6-11H,1-5H3;3-12H,1-2H3;7-13H,1-6H3.

What are the key properties of benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[f][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane;dimethyl-(4-methylphenyl)-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(4-phenylphenyl)-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane?

benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[f][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane;dimethyl-(4-methylphenyl)-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(4-phenylphenyl)-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane has a molecular weight of 2355.47 g/mol, XLogP of 30.26, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[f][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane;dimethyl-(4-methylphenyl)-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(4-phenylphenyl)-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane is sourced from PubChem (CID 159730650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).