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

C63H40N4 — CID 170658536

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

9-[1-naphthalen-1-yl-4-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole (PubChem CID 170658536) has the molecular formula C63H40N4 and a molecular weight of 853.04 g/mol. Its IUPAC name is 9-[1-naphthalen-1-yl-4-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[1-naphthalen-1-yl-4-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole
• PubChem CID: 170658536
• Molecular Formula: C63H40N4
• Molecular Weight: 853.04 g/mol
• Exact Mass: 852.33
• IUPAC Name: 9-[1-naphthalen-1-yl-4-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4cc(-n5c6ccccc6c6ccccc65)c(-c5cccc6ccccc56)c5ccccc45)n3)c2)cc1
• InChI: InChI=1S/C63H40N4/c1-2-17-41(18-3-1)46-23-14-24-47(39-46)62-64-61(45-37-35-44(36-38-45)49-31-15-21-42-19-4-6-25-48(42)49)65-63(66-62)56-40-59(67-57-33-12-10-28-52(57)53-29-11-13-34-58(53)67)60(55-30-9-8-27-51(55)56)54-32-16-22-43-20-5-7-26-50(43)54/h1-40H
• InChIKey: IVCLWDRZMJYFLB-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.04
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-[1-naphthalen-1-yl-4-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole (CID 170658536) is 9-[1-naphthalen-1-yl-4-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole.

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

The canonical SMILES for 9-[1-naphthalen-1-yl-4-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4cc(-n5c6ccccc6c6ccccc65)c(-c5cccc6ccccc56)c5ccccc45)n3)c2)cc1.

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

The InChIKey is IVCLWDRZMJYFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N4/c1-2-17-41(18-3-1)46-23-14-24-47(39-46)62-64-61(45-37-35-44(36-38-45)49-31-15-21-42-19-4-6-25-48(42)49)65-63(66-62)56-40-59(67-57-33-12-10-28-52(57)53-29-11-13-34-58(53)67)60(55-30-9-8-27-51(55)56)54-32-16-22-43-20-5-7-26-50(43)54/h1-40H.

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

9-[1-naphthalen-1-yl-4-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole has a molecular weight of 853.04 g/mol, XLogP of 16.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[1-naphthalen-1-yl-4-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole is sourced from PubChem (CID 170658536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).