24-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,17-N,17-N-tetraphenylnonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaene-5,17-diamine

C71H45N5 — CID 122519894

About 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,17-N,17-N-tetraphenylnonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaene-5,17-diamine

24-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,17-N,17-N-tetraphenylnonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaene-5,17-diamine (PubChem CID 122519894) has the molecular formula C71H45N5 and a molecular weight of 968.18 g/mol. Its IUPAC name is 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,17-N,17-N-tetraphenylnonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaene-5,17-diamine.

Molecular Properties

• Compound Name: 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,17-N,17-N-tetraphenylnonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaene-5,17-diamine
• PubChem CID: 122519894
• Molecular Formula: C71H45N5
• Molecular Weight: 968.18 g/mol
• Exact Mass: 967.37
• IUPAC Name: 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,17-N,17-N-tetraphenylnonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaene-5,17-diamine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c(cccc35)C35c6cccc7c(N(c8ccccc8)c8ccccc8)ccc(c67)C43c3ccc(N(c4ccccc4)c4ccccc4)c4cccc5c34)n2)cc1
• InChI: InChI=1S/C71H45N5/c1-7-22-46(23-8-1)67-72-68(47-24-9-2-10-25-47)74-69(73-67)53-40-41-59-64-52(53)34-19-37-56(64)70-57-38-20-35-54-62(75(48-26-11-3-12-27-48)49-28-13-4-14-29-49)44-42-60(65(54)57)71(59,70)61-43-45-63(55-36-21-39-58(70)66(55)61)76(50-30-15-5-16-31-50)51-32-17-6-18-33-51/h1-45H
• InChIKey: XMBGRMYOCUQYPJ-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 45.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	968.18
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,17-N,17-N-tetraphenylnonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaene-5,17-diamine?

The IUPAC name of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,17-N,17-N-tetraphenylnonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaene-5,17-diamine (CID 122519894) is 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,17-N,17-N-tetraphenylnonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaene-5,17-diamine.

What is the SMILES notation for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,17-N,17-N-tetraphenylnonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaene-5,17-diamine?

The canonical SMILES for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,17-N,17-N-tetraphenylnonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaene-5,17-diamine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c(cccc35)C35c6cccc7c(N(c8ccccc8)c8ccccc8)ccc(c67)C43c3ccc(N(c4ccccc4)c4ccccc4)c4cccc5c34)n2)cc1.

What is the InChIKey of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,17-N,17-N-tetraphenylnonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaene-5,17-diamine?

The InChIKey is XMBGRMYOCUQYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H45N5/c1-7-22-46(23-8-1)67-72-68(47-24-9-2-10-25-47)74-69(73-67)53-40-41-59-64-52(53)34-19-37-56(64)70-57-38-20-35-54-62(75(48-26-11-3-12-27-48)49-28-13-4-14-29-49)44-42-60(65(54)57)71(59,70)61-43-45-63(55-36-21-39-58(70)66(55)61)76(50-30-15-5-16-31-50)51-32-17-6-18-33-51/h1-45H.

What are the key properties of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,17-N,17-N-tetraphenylnonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaene-5,17-diamine?

24-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,17-N,17-N-tetraphenylnonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaene-5,17-diamine has a molecular weight of 968.18 g/mol, XLogP of 17.58, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,17-N,17-N-tetraphenylnonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaene-5,17-diamine is sourced from PubChem (CID 122519894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).