5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene

C50H30N4O2 — CID 177085976

About 5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene

5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene (PubChem CID 177085976) has the molecular formula C50H30N4O2 and a molecular weight of 718.82 g/mol. Its IUPAC name is 5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene.

Molecular Properties

• Compound Name: 5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
• PubChem CID: 177085976
• Molecular Formula: C50H30N4O2
• Molecular Weight: 718.82 g/mol
• Exact Mass: 718.24
• IUPAC Name: 5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cc6c(oc7ccc8nc(-c9ccccc9)oc8c76)c6ccccc56)n4)cc3)cc2)cc1
• InChI: InChI=1S/C50H30N4O2/c1-4-12-31(13-5-1)32-20-22-33(23-21-32)34-24-26-36(27-25-34)48-52-47(35-14-6-2-7-15-35)53-49(54-48)40-30-41-44-43(55-45(41)39-19-11-10-18-38(39)40)29-28-42-46(44)56-50(51-42)37-16-8-3-9-17-37/h1-30H
• InChIKey: PKWIYSURMSONHV-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.82
LogP ≤ 5	13.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene?

The IUPAC name of 5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene (CID 177085976) is 5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene.

What is the SMILES notation for 5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene?

The canonical SMILES for 5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cc6c(oc7ccc8nc(-c9ccccc9)oc8c76)c6ccccc56)n4)cc3)cc2)cc1.

What is the InChIKey of 5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene?

The InChIKey is PKWIYSURMSONHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2/c1-4-12-31(13-5-1)32-20-22-33(23-21-32)34-24-26-36(27-25-34)48-52-47(35-14-6-2-7-15-35)53-49(54-48)40-30-41-44-43(55-45(41)39-19-11-10-18-38(39)40)29-28-42-46(44)56-50(51-42)37-16-8-3-9-17-37/h1-30H.

What are the key properties of 5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene?

5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene has a molecular weight of 718.82 g/mol, XLogP of 13.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene is sourced from PubChem (CID 177085976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).