10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole

C53H35N5 — CID 164782219

About 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole

10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole (PubChem CID 164782219) has the molecular formula C53H35N5 and a molecular weight of 741.90 g/mol. Its IUPAC name is 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
• PubChem CID: 164782219
• Molecular Formula: C53H35N5
• Molecular Weight: 741.90 g/mol
• Exact Mass: 741.29
• IUPAC Name: 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6n6c7ccccc7c(-c7ccccc7)c56)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
• InChI: InChI=1S/C53H35N5/c1-4-16-36(17-5-1)40-22-14-24-42(34-40)51-54-50(55-52(56-51)43-25-15-23-41(35-43)37-18-6-2-7-19-37)39-30-32-44(33-31-39)57-47-28-12-13-29-48(47)58-46-27-11-10-26-45(46)49(53(57)58)38-20-8-3-9-21-38/h1-35H
• InChIKey: WIMHQQDQOKKIDL-UHFFFAOYSA-N
• XLogP: 13.22
• TPSA: 48.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.90
LogP ≤ 5	13.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole?

The IUPAC name of 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole (CID 164782219) is 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole.

What is the SMILES notation for 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole?

The canonical SMILES for 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole is c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6n6c7ccccc7c(-c7ccccc7)c56)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.

What is the InChIKey of 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole?

The InChIKey is WIMHQQDQOKKIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N5/c1-4-16-36(17-5-1)40-22-14-24-42(34-40)51-54-50(55-52(56-51)43-25-15-23-41(35-43)37-18-6-2-7-19-37)39-30-32-44(33-31-39)57-47-28-12-13-29-48(47)58-46-27-11-10-26-45(46)49(53(57)58)38-20-8-3-9-21-38/h1-35H.

What are the key properties of 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole?

10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole has a molecular weight of 741.90 g/mol, XLogP of 13.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole is sourced from PubChem (CID 164782219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).