2-[4-[1-[2-[4-(4-naphthalen-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C66H43N6- — CID 145327198

About 2-[4-[1-[2-[4-(4-naphthalen-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[1-[2-[4-(4-naphthalen-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 145327198) has the molecular formula C66H43N6- and a molecular weight of 920.11 g/mol. Its IUPAC name is 2-[4-[1-[2-[4-(4-naphthalen-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[1-[2-[4-(4-naphthalen-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 145327198
• Molecular Formula: C66H43N6-
• Molecular Weight: 920.11 g/mol
• Exact Mass: 919.36
• IUPAC Name: 2-[4-[1-[2-[4-(4-naphthalen-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(C2=NC(c3ccc4ccccc4c3)[N-]C(c3ccc(-c4ccc5ccccc5c4-c4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc5ccccc45)cc3)=N2)cc1
• InChI: InChI=1S/C66H43N6/c1-4-19-48(20-5-1)61-67-62(49-21-6-2-7-22-49)69-64(68-61)51-33-29-46(30-34-51)57-40-38-44-17-12-14-26-55(44)59(57)60-56-27-15-13-18-45(56)39-41-58(60)47-31-35-52(36-32-47)65-70-63(50-23-8-3-9-24-50)71-66(72-65)54-37-28-43-16-10-11-25-53(43)42-54/h1-42,66H/q-1
• InChIKey: QWJCBIUJQDVBCQ-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 77.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.11
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[2-[4-(4-naphthalen-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[4-[1-[2-[4-(4-naphthalen-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 145327198) is 2-[4-[1-[2-[4-(4-naphthalen-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[4-[1-[2-[4-(4-naphthalen-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[4-[1-[2-[4-(4-naphthalen-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(C2=NC(c3ccc4ccccc4c3)[N-]C(c3ccc(-c4ccc5ccccc5c4-c4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc5ccccc45)cc3)=N2)cc1.

What is the InChIKey of 2-[4-[1-[2-[4-(4-naphthalen-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is QWJCBIUJQDVBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N6/c1-4-19-48(20-5-1)61-67-62(49-21-6-2-7-22-49)69-64(68-61)51-33-29-46(30-34-51)57-40-38-44-17-12-14-26-55(44)59(57)60-56-27-15-13-18-45(56)39-41-58(60)47-31-35-52(36-32-47)65-70-63(50-23-8-3-9-24-50)71-66(72-65)54-37-28-43-16-10-11-25-53(43)42-54/h1-42,66H/q-1.

What are the key properties of 2-[4-[1-[2-[4-(4-naphthalen-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

2-[4-[1-[2-[4-(4-naphthalen-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 920.11 g/mol, XLogP of 16.61, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-[2-[4-(4-naphthalen-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 145327198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).