11-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[a]carbazole

C51H32N4 — CID 167031798

About 11-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[a]carbazole

11-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[a]carbazole (PubChem CID 167031798) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 11-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[a]carbazole.

Molecular Properties

• Compound Name: 11-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[a]carbazole
• PubChem CID: 167031798
• Molecular Formula: C51H32N4
• Molecular Weight: 700.85 g/mol
• Exact Mass: 700.26
• IUPAC Name: 11-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[a]carbazole
• SMILES: c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cc(-n6c7ccccc7c7ccc8ccccc8c76)cc6ccccc56)n4)ccc3c2)cc1
• InChI: InChI=1S/C51H32N4/c1-3-13-33(14-4-1)36-23-24-38-30-40(26-25-37(38)29-36)50-52-49(35-16-5-2-6-17-35)53-51(54-50)46-32-41(31-39-18-8-9-19-42(39)46)55-47-22-12-11-21-44(47)45-28-27-34-15-7-10-20-43(34)48(45)55/h1-32H
• InChIKey: LSBNKJFMMDKCOF-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.85
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[a]carbazole?

The IUPAC name of 11-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[a]carbazole (CID 167031798) is 11-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[a]carbazole.

What is the SMILES notation for 11-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[a]carbazole?

The canonical SMILES for 11-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[a]carbazole is c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cc(-n6c7ccccc7c7ccc8ccccc8c76)cc6ccccc56)n4)ccc3c2)cc1.

What is the InChIKey of 11-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[a]carbazole?

The InChIKey is LSBNKJFMMDKCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4/c1-3-13-33(14-4-1)36-23-24-38-30-40(26-25-37(38)29-36)50-52-49(35-16-5-2-6-17-35)53-51(54-50)46-32-41(31-39-18-8-9-19-42(39)46)55-47-22-12-11-21-44(47)45-28-27-34-15-7-10-20-43(34)48(45)55/h1-32H.

What are the key properties of 11-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[a]carbazole?

11-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[a]carbazole has a molecular weight of 700.85 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[a]carbazole is sourced from PubChem (CID 167031798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).