4,10-bis(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[3-(difluoromethyl)phenyl]-5-[4-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-bis[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-3-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine

C245H186F8N20O7Si4 — CID 159980368

About 4,10-bis(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[3-(difluoromethyl)phenyl]-5-[4-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-bis[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-3-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine

4,10-bis(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[3-(difluoromethyl)phenyl]-5-[4-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-bis[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-3-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 159980368) has the molecular formula C245H186F8N20O7Si4 and a molecular weight of 3786.64 g/mol. Its IUPAC name is 4,10-bis(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[3-(difluoromethyl)phenyl]-5-[4-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-bis[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-3-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 4,10-bis(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[3-(difluoromethyl)phenyl]-5-[4-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-bis[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-3-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 159980368
• Molecular Formula: C245H186F8N20O7Si4
• Molecular Weight: 3786.64 g/mol
• Exact Mass: 3783.38
• IUPAC Name: 4,10-bis(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[3-(difluoromethyl)phenyl]-5-[4-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-bis[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-3-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.CC(C)(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.C[Si]1(C)C(c2cccc(-c3cccnc3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1.C[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.Cc1cccc(-c2nnc(-c3ccc(C(c4ccc(-c5nnc(-c6cccc(C(F)F)c6)o5)cc4)(c4ccc(-c5nnc(-c6cccc(C(F)(F)F)c6)o5)cc4)c4ccc(-c5nnc(-c6cccc(C(F)(F)F)c6)o5)cc4)cc3)o2)c1.Cc1cccc(C2=CC3=C([SiH2]2)C2=C(C=C(c4cccc(C)c4)[SiH2]2)C3(c2ccccc2)c2ccccc2)c1
• InChI: InChI=1S/C61H36F8N8O4.C57H42N6O2.C38H30N4Si.C35H30Si2.C30H26Si.C24H22N2O/c1-34-6-2-8-40(30-34)55-74-70-51(78-55)35-14-22-44(23-15-35)59(45-24-16-36(17-25-45)52-71-75-56(79-52)41-9-3-7-39(31-41)50(62)63,46-26-18-37(19-27-46)53-72-76-57(80-53)42-10-4-12-48(32-42)60(64,65)66)47-28-20-38(21-29-47)54-73-77-58(81-54)43-11-5-13-49(33-43)61(67,68)69;1-57(2,45-27-35-49(36-28-45)64-47-31-23-43(24-32-47)55-60-51(39-15-7-3-8-16-39)58-52(61-55)40-17-9-4-10-18-40)46-29-37-50(38-30-46)65-48-33-25-44(26-34-48)56-62-53(41-19-11-5-12-20-41)59-54(63-56)42-21-13-6-14-22-42;1-43(2)37(33-22-11-20-30(41-33)29-18-13-24-39-26-29)35(27-14-5-3-6-15-27)36(28-16-7-4-8-17-28)38(43)34-23-12-21-32(42-34)31-19-9-10-25-40-31;1-23-11-9-13-25(19-23)31-21-29-33(36-31)34-30(22-32(37-34)26-14-10-12-24(2)20-26)35(29,27-15-5-3-6-16-27)28-17-7-4-8-18-28;1-31(2)29(25-19-11-5-12-20-25)27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30(31)26-21-13-6-14-22-26;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h2-33,50H,1H3;3-38H,1-2H3;3-26H,1-2H3;3-22H,36-37H2,1-2H3;3-22H,1-2H3;4-16H,1-3H3
• InChIKey: OFRLJLAGNZBKLJ-UHFFFAOYSA-N
• XLogP: 60.05
• TPSA: 341.96 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 42
• Heavy Atoms: 284
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3786.64
LogP ≤ 5	60.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4,10-bis(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[3-(difluoromethyl)phenyl]-5-[4-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-bis[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-3-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 4,10-bis(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[3-(difluoromethyl)phenyl]-5-[4-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-bis[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-3-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 159980368) is 4,10-bis(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[3-(difluoromethyl)phenyl]-5-[4-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-bis[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-3-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 4,10-bis(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[3-(difluoromethyl)phenyl]-5-[4-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-bis[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-3-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 4,10-bis(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[3-(difluoromethyl)phenyl]-5-[4-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-bis[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-3-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine is CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.CC(C)(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.C[Si]1(C)C(c2cccc(-c3cccnc3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1.C[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.Cc1cccc(-c2nnc(-c3ccc(C(c4ccc(-c5nnc(-c6cccc(C(F)F)c6)o5)cc4)(c4ccc(-c5nnc(-c6cccc(C(F)(F)F)c6)o5)cc4)c4ccc(-c5nnc(-c6cccc(C(F)(F)F)c6)o5)cc4)cc3)o2)c1.Cc1cccc(C2=CC3=C([SiH2]2)C2=C(C=C(c4cccc(C)c4)[SiH2]2)C3(c2ccccc2)c2ccccc2)c1.

What is the InChIKey of 4,10-bis(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[3-(difluoromethyl)phenyl]-5-[4-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-bis[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-3-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is OFRLJLAGNZBKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36F8N8O4.C57H42N6O2.C38H30N4Si.C35H30Si2.C30H26Si.C24H22N2O/c1-34-6-2-8-40(30-34)55-74-70-51(78-55)35-14-22-44(23-15-35)59(45-24-16-36(17-25-45)52-71-75-56(79-52)41-9-3-7-39(31-41)50(62)63,46-26-18-37(19-27-46)53-72-76-57(80-53)42-10-4-12-48(32-42)60(64,65)66)47-28-20-38(21-29-47)54-73-77-58(81-54)43-11-5-13-49(33-43)61(67,68)69;1-57(2,45-27-35-49(36-28-45)64-47-31-23-43(24-32-47)55-60-51(39-15-7-3-8-16-39)58-52(61-55)40-17-9-4-10-18-40)46-29-37-50(38-30-46)65-48-33-25-44(26-34-48)56-62-53(41-19-11-5-12-20-41)59-54(63-56)42-21-13-6-14-22-42;1-43(2)37(33-22-11-20-30(41-33)29-18-13-24-39-26-29)35(27-14-5-3-6-15-27)36(28-16-7-4-8-17-28)38(43)34-23-12-21-32(42-34)31-19-9-10-25-40-31;1-23-11-9-13-25(19-23)31-21-29-33(36-31)34-30(22-32(37-34)26-14-10-12-24(2)20-26)35(29,27-15-5-3-6-16-27)28-17-7-4-8-18-28;1-31(2)29(25-19-11-5-12-20-25)27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30(31)26-21-13-6-14-22-26;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h2-33,50H,1H3;3-38H,1-2H3;3-26H,1-2H3;3-22H,36-37H2,1-2H3;3-22H,1-2H3;4-16H,1-3H3.

What are the key properties of 4,10-bis(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[3-(difluoromethyl)phenyl]-5-[4-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-bis[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-3-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?

4,10-bis(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[3-(difluoromethyl)phenyl]-5-[4-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-bis[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-3-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 3786.64 g/mol, XLogP of 60.05, 42 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4,10-bis(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[3-(difluoromethyl)phenyl]-5-[4-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-bis[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-3-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 159980368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).