5-phenyl-16-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene

C44H26N4O2 — CID 176647036

About 5-phenyl-16-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene

5-phenyl-16-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene (PubChem CID 176647036) has the molecular formula C44H26N4O2 and a molecular weight of 642.72 g/mol. Its IUPAC name is 5-phenyl-16-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 5-phenyl-16-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene
• PubChem CID: 176647036
• Molecular Formula: C44H26N4O2
• Molecular Weight: 642.72 g/mol
• Exact Mass: 642.21
• IUPAC Name: 5-phenyl-16-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene
• SMILES: c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4c3oc3ccc5ccc6nc(-c7ccccc7)oc6c5c34)n2)cc1
• InChI: InChI=1S/C44H26N4O2/c1-4-13-27(14-5-1)31-19-10-11-20-32(31)42-46-41(29-15-6-2-7-16-29)47-43(48-42)34-22-12-21-33-38-36(49-39(33)34)26-24-28-23-25-35-40(37(28)38)50-44(45-35)30-17-8-3-9-18-30/h1-26H
• InChIKey: WWZNEVNKZXOAIA-UHFFFAOYSA-N
• XLogP: 11.40
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.72
LogP ≤ 5	11.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-16-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene?

The IUPAC name of 5-phenyl-16-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene (CID 176647036) is 5-phenyl-16-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene.

What is the SMILES notation for 5-phenyl-16-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene?

The canonical SMILES for 5-phenyl-16-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene is c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4c3oc3ccc5ccc6nc(-c7ccccc7)oc6c5c34)n2)cc1.

What is the InChIKey of 5-phenyl-16-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene?

The InChIKey is WWZNEVNKZXOAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O2/c1-4-13-27(14-5-1)31-19-10-11-20-32(31)42-46-41(29-15-6-2-7-16-29)47-43(48-42)34-22-12-21-33-38-36(49-39(33)34)26-24-28-23-25-35-40(37(28)38)50-44(45-35)30-17-8-3-9-18-30/h1-26H.

What are the key properties of 5-phenyl-16-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene?

5-phenyl-16-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene has a molecular weight of 642.72 g/mol, XLogP of 11.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-16-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene is sourced from PubChem (CID 176647036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).