3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole

C49H32N4 — CID 167031817

About 3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole

3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 167031817) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 167031817
• Molecular Formula: C49H32N4
• Molecular Weight: 676.82 g/mol
• Exact Mass: 676.26
• IUPAC Name: 3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)cc5)n4)ccc3c2)cc1
• InChI: InChI=1S/C49H32N4/c1-4-12-33(13-5-1)37-20-21-39-31-41(23-22-38(39)30-37)49-51-47(35-16-8-3-9-17-35)50-48(52-49)36-24-27-42(28-25-36)53-45-19-11-10-18-43(45)44-32-40(26-29-46(44)53)34-14-6-2-7-15-34/h1-32H
• InChIKey: WQNNHJAIPVKYCH-UHFFFAOYSA-N
• XLogP: 12.46
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.82
LogP ≤ 5	12.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 167031817) is 3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.

What is the SMILES notation for 3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?

The canonical SMILES for 3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)cc5)n4)ccc3c2)cc1.

What is the InChIKey of 3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?

The InChIKey is WQNNHJAIPVKYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-4-12-33(13-5-1)37-20-21-39-31-41(23-22-38(39)30-37)49-51-47(35-16-8-3-9-17-35)50-48(52-49)36-24-27-42(28-25-36)53-45-19-11-10-18-43(45)44-32-40(26-29-46(44)53)34-14-6-2-7-15-34/h1-32H.

What are the key properties of 3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?

3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 676.82 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 167031817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).