14,24-dibromo-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,28-diphenyl-10,19,28-triazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,29.022,27.030,35]pentatriaconta-1(20),2(18),3,5,7,9(17),11(16),12,14,21(29),22(27),23,25,30,32,34-hexadecaene

C59H34Br2N6 — CID 118473627

About 14,24-dibromo-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,28-diphenyl-10,19,28-triazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,29.022,27.030,35]pentatriaconta-1(20),2(18),3,5,7,9(17),11(16),12,14,21(29),22(27),23,25,30,32,34-hexadecaene

14,24-dibromo-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,28-diphenyl-10,19,28-triazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,29.022,27.030,35]pentatriaconta-1(20),2(18),3,5,7,9(17),11(16),12,14,21(29),22(27),23,25,30,32,34-hexadecaene (PubChem CID 118473627) has the molecular formula C59H34Br2N6 and a molecular weight of 986.77 g/mol. Its IUPAC name is 14,24-dibromo-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,28-diphenyl-10,19,28-triazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,29.022,27.030,35]pentatriaconta-1(20),2(18),3,5,7,9(17),11(16),12,14,21(29),22(27),23,25,30,32,34-hexadecaene.

Molecular Properties

• Compound Name: 14,24-dibromo-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,28-diphenyl-10,19,28-triazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,29.022,27.030,35]pentatriaconta-1(20),2(18),3,5,7,9(17),11(16),12,14,21(29),22(27),23,25,30,32,34-hexadecaene
• PubChem CID: 118473627
• Molecular Formula: C59H34Br2N6
• Molecular Weight: 986.77 g/mol
• Exact Mass: 984.12
• IUPAC Name: 14,24-dibromo-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,28-diphenyl-10,19,28-triazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,29.022,27.030,35]pentatriaconta-1(20),2(18),3,5,7,9(17),11(16),12,14,21(29),22(27),23,25,30,32,34-hexadecaene
• SMILES: Brc1ccc2c(c1)c1c(c3ccccc3c3c4c5ccccc5c5c(c6cc(Br)ccc6n5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4n(-c4ccccc4)c31)n2-c1ccccc1
• InChI: InChI=1S/C59H34Br2N6/c60-37-29-31-47-45(33-37)51-53(65(47)39-21-9-3-10-22-39)43-27-15-13-25-41(43)49-50-42-26-14-16-28-44(42)54-52(56(50)66(55(49)51)40-23-11-4-12-24-40)46-34-38(61)30-32-48(46)67(54)59-63-57(35-17-5-1-6-18-35)62-58(64-59)36-19-7-2-8-20-36/h1-34H
• InChIKey: PEMDTCPBPHSDCL-UHFFFAOYSA-N
• XLogP: 16.33
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	986.77
LogP ≤ 5	16.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 14,24-dibromo-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,28-diphenyl-10,19,28-triazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,29.022,27.030,35]pentatriaconta-1(20),2(18),3,5,7,9(17),11(16),12,14,21(29),22(27),23,25,30,32,34-hexadecaene?

The IUPAC name of 14,24-dibromo-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,28-diphenyl-10,19,28-triazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,29.022,27.030,35]pentatriaconta-1(20),2(18),3,5,7,9(17),11(16),12,14,21(29),22(27),23,25,30,32,34-hexadecaene (CID 118473627) is 14,24-dibromo-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,28-diphenyl-10,19,28-triazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,29.022,27.030,35]pentatriaconta-1(20),2(18),3,5,7,9(17),11(16),12,14,21(29),22(27),23,25,30,32,34-hexadecaene.

What is the SMILES notation for 14,24-dibromo-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,28-diphenyl-10,19,28-triazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,29.022,27.030,35]pentatriaconta-1(20),2(18),3,5,7,9(17),11(16),12,14,21(29),22(27),23,25,30,32,34-hexadecaene?

The canonical SMILES for 14,24-dibromo-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,28-diphenyl-10,19,28-triazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,29.022,27.030,35]pentatriaconta-1(20),2(18),3,5,7,9(17),11(16),12,14,21(29),22(27),23,25,30,32,34-hexadecaene is Brc1ccc2c(c1)c1c(c3ccccc3c3c4c5ccccc5c5c(c6cc(Br)ccc6n5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4n(-c4ccccc4)c31)n2-c1ccccc1.

What is the InChIKey of 14,24-dibromo-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,28-diphenyl-10,19,28-triazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,29.022,27.030,35]pentatriaconta-1(20),2(18),3,5,7,9(17),11(16),12,14,21(29),22(27),23,25,30,32,34-hexadecaene?

The InChIKey is PEMDTCPBPHSDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34Br2N6/c60-37-29-31-47-45(33-37)51-53(65(47)39-21-9-3-10-22-39)43-27-15-13-25-41(43)49-50-42-26-14-16-28-44(42)54-52(56(50)66(55(49)51)40-23-11-4-12-24-40)46-34-38(61)30-32-48(46)67(54)59-63-57(35-17-5-1-6-18-35)62-58(64-59)36-19-7-2-8-20-36/h1-34H.

What are the key properties of 14,24-dibromo-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,28-diphenyl-10,19,28-triazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,29.022,27.030,35]pentatriaconta-1(20),2(18),3,5,7,9(17),11(16),12,14,21(29),22(27),23,25,30,32,34-hexadecaene?

14,24-dibromo-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,28-diphenyl-10,19,28-triazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,29.022,27.030,35]pentatriaconta-1(20),2(18),3,5,7,9(17),11(16),12,14,21(29),22(27),23,25,30,32,34-hexadecaene has a molecular weight of 986.77 g/mol, XLogP of 16.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14,24-dibromo-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,28-diphenyl-10,19,28-triazanonacyclo[18.15.0.02,18.03,8.09,17.011,16.021,29.022,27.030,35]pentatriaconta-1(20),2(18),3,5,7,9(17),11(16),12,14,21(29),22(27),23,25,30,32,34-hexadecaene is sourced from PubChem (CID 118473627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).