23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene

C59H38N6 — CID 90267570

About 23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene

23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene (PubChem CID 90267570) has the molecular formula C59H38N6 and a molecular weight of 831.00 g/mol. Its IUPAC name is 23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene.

Molecular Properties

• Compound Name: 23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene
• PubChem CID: 90267570
• Molecular Formula: C59H38N6
• Molecular Weight: 831.00 g/mol
• Exact Mass: 830.32
• IUPAC Name: 23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6cc7c8ccccc8n(-c8ccccc8)c7cc6c6cc7ccn(-c8ccccc8)c7cc65)cc4)c3)n2)cc1
• InChI: InChI=1S/C59H38N6/c1-5-16-40(17-6-1)57-60-58(41-18-7-2-8-19-41)62-59(61-57)44-21-15-20-42(34-44)39-28-30-47(31-29-39)65-55-36-50-48-26-13-14-27-52(48)64(46-24-11-4-12-25-46)54(50)37-51(55)49-35-43-32-33-63(53(43)38-56(49)65)45-22-9-3-10-23-45/h1-38H
• InChIKey: NLWDTHMPUXBUED-UHFFFAOYSA-N
• XLogP: 14.68
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.00
LogP ≤ 5	14.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene?

The IUPAC name of 23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene (CID 90267570) is 23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene.

What is the SMILES notation for 23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene?

The canonical SMILES for 23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6cc7c8ccccc8n(-c8ccccc8)c7cc6c6cc7ccn(-c8ccccc8)c7cc65)cc4)c3)n2)cc1.

What is the InChIKey of 23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene?

The InChIKey is NLWDTHMPUXBUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N6/c1-5-16-40(17-6-1)57-60-58(41-18-7-2-8-19-41)62-59(61-57)44-21-15-20-42(34-44)39-28-30-47(31-29-39)65-55-36-50-48-26-13-14-27-52(48)64(46-24-11-4-12-25-46)54(50)37-51(55)49-35-43-32-33-63(53(43)38-56(49)65)45-22-9-3-10-23-45/h1-38H.

What are the key properties of 23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene?

23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene has a molecular weight of 831.00 g/mol, XLogP of 14.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene is sourced from PubChem (CID 90267570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).