9-[3-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole

C53H34N4 — CID 167032255

About 9-[3-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole

9-[3-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole (PubChem CID 167032255) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 9-[3-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
• PubChem CID: 167032255
• Molecular Formula: C53H34N4
• Molecular Weight: 726.88 g/mol
• Exact Mass: 726.28
• IUPAC Name: 9-[3-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cc(-n5c6ccccc6c6ccccc65)c5ccccc5c4)n3)cc2)cc1
• InChI: InChI=1S/C53H34N4/c1-2-12-35(13-3-1)37-22-27-39(28-23-37)51-54-52(40-29-24-38(25-30-40)42-31-26-36-14-4-5-15-41(36)32-42)56-53(55-51)44-33-43-16-6-7-17-45(43)50(34-44)57-48-20-10-8-18-46(48)47-19-9-11-21-49(47)57/h1-34H
• InChIKey: WCXHEJYJTUGPHA-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.88
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-[3-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole (CID 167032255) is 9-[3-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole.

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

The canonical SMILES for 9-[3-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cc(-n5c6ccccc6c6ccccc65)c5ccccc5c4)n3)cc2)cc1.

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

The InChIKey is WCXHEJYJTUGPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-2-12-35(13-3-1)37-22-27-39(28-23-37)51-54-52(40-29-24-38(25-30-40)42-31-26-36-14-4-5-15-41(36)32-42)56-53(55-51)44-33-43-16-6-7-17-45(43)50(34-44)57-48-20-10-8-18-46(48)47-19-9-11-21-49(47)57/h1-34H.

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

9-[3-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole has a molecular weight of 726.88 g/mol, XLogP of 13.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole is sourced from PubChem (CID 167032255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).