24-bromo-28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaene;N-[4-[28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;4,4,5,5-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,2-dioxaborolan-2-amine

C156H114BBrN10O2 — CID 158610218

About 24-bromo-28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaene;N-[4-[28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;4,4,5,5-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,2-dioxaborolan-2-amine

24-bromo-28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaene;N-[4-[28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;4,4,5,5-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,2-dioxaborolan-2-amine (PubChem CID 158610218) has the molecular formula C156H114BBrN10O2 and a molecular weight of 2251.41 g/mol. Its IUPAC name is 24-bromo-28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaene;N-[4-[28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;4,4,5,5-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,2-dioxaborolan-2-amine.

Molecular Properties

• Compound Name: 24-bromo-28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaene;N-[4-[28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;4,4,5,5-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,2-dioxaborolan-2-amine
• PubChem CID: 158610218
• Molecular Formula: C156H114BBrN10O2
• Molecular Weight: 2251.41 g/mol
• Exact Mass: 2248.84
• IUPAC Name: 24-bromo-28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaene;N-[4-[28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;4,4,5,5-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,2-dioxaborolan-2-amine
• SMILES: CC1(C)OB(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)OC1(C)C.CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2cc3c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccccc6-c6ccccc6)cc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2cc3c4cc(Br)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21
• InChI: InChI=1S/C78H53N5.C48H31BrN4.C30H30BNO2/c1-78(2)70-48-65-63-33-18-16-31-61(63)60-30-15-17-32-62(60)64(65)46-66(70)67-47-69-68-45-56(39-44-73(68)83(74(69)49-71(67)78)77-80-75(54-25-11-5-12-26-54)79-76(81-77)55-27-13-6-14-28-55)52-37-42-58(43-38-52)82(57-40-35-51(36-41-57)50-21-7-3-8-22-50)72-34-20-19-29-59(72)53-23-9-4-10-24-53;1-48(2)41-26-36-34-20-12-10-18-32(34)31-17-9-11-19-33(31)35(36)24-37(41)38-25-40-39-23-30(49)21-22-43(39)53(44(40)27-42(38)48)47-51-45(28-13-5-3-6-14-28)50-46(52-47)29-15-7-4-8-16-29;1-29(2)30(3,4)34-31(33-29)32(26-21-19-24(20-22-26)23-13-7-5-8-14-23)28-18-12-11-17-27(28)25-15-9-6-10-16-25/h3-49H,1-2H3;3-27H,1-2H3;5-22H,1-4H3
• InChIKey: HWSZXDPAUBEDQF-UHFFFAOYSA-N
• XLogP: 41.12
• TPSA: 112.14 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2251.41
LogP ≤ 5	41.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 24-bromo-28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaene;N-[4-[28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;4,4,5,5-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,2-dioxaborolan-2-amine?

The IUPAC name of 24-bromo-28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaene;N-[4-[28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;4,4,5,5-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,2-dioxaborolan-2-amine (CID 158610218) is 24-bromo-28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaene;N-[4-[28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;4,4,5,5-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,2-dioxaborolan-2-amine.

What is the SMILES notation for 24-bromo-28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaene;N-[4-[28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;4,4,5,5-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,2-dioxaborolan-2-amine?

The canonical SMILES for 24-bromo-28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaene;N-[4-[28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;4,4,5,5-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,2-dioxaborolan-2-amine is CC1(C)OB(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)OC1(C)C.CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2cc3c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccccc6-c6ccccc6)cc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2cc3c4cc(Br)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.

What is the InChIKey of 24-bromo-28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaene;N-[4-[28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;4,4,5,5-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,2-dioxaborolan-2-amine?

The InChIKey is HWSZXDPAUBEDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H53N5.C48H31BrN4.C30H30BNO2/c1-78(2)70-48-65-63-33-18-16-31-61(63)60-30-15-17-32-62(60)64(65)46-66(70)67-47-69-68-45-56(39-44-73(68)83(74(69)49-71(67)78)77-80-75(54-25-11-5-12-26-54)79-76(81-77)55-27-13-6-14-28-55)52-37-42-58(43-38-52)82(57-40-35-51(36-41-57)50-21-7-3-8-22-50)72-34-20-19-29-59(72)53-23-9-4-10-24-53;1-48(2)41-26-36-34-20-12-10-18-32(34)31-17-9-11-19-33(31)35(36)24-37(41)38-25-40-39-23-30(49)21-22-43(39)53(44(40)27-42(38)48)47-51-45(28-13-5-3-6-14-28)50-46(52-47)29-15-7-4-8-16-29;1-29(2)30(3,4)34-31(33-29)32(26-21-19-24(20-22-26)23-13-7-5-8-14-23)28-18-12-11-17-27(28)25-15-9-6-10-16-25/h3-49H,1-2H3;3-27H,1-2H3;5-22H,1-4H3.

What are the key properties of 24-bromo-28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaene;N-[4-[28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;4,4,5,5-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,2-dioxaborolan-2-amine?

24-bromo-28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaene;N-[4-[28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;4,4,5,5-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,2-dioxaborolan-2-amine has a molecular weight of 2251.41 g/mol, XLogP of 41.12, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 24-bromo-28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaene;N-[4-[28-(4,6-diphenyl-1,3,5-triazin-2-yl)-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(27),23,25,29-pentadecaen-24-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;4,4,5,5-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,2-dioxaborolan-2-amine is sourced from PubChem (CID 158610218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).