7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]carbazole

C51H32N4 — CID 166916847

About 7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]carbazole

7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]carbazole (PubChem CID 166916847) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]carbazole
• PubChem CID: 166916847
• Molecular Formula: C51H32N4
• Molecular Weight: 700.85 g/mol
• Exact Mass: 700.26
• IUPAC Name: 7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]carbazole
• SMILES: c1ccc(-c2nc(-c3cc4ccccc4cc3-n3c4ccccc4c4c5ccccc5ccc43)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1
• InChI: InChI=1S/C51H32N4/c1-3-15-33(16-4-1)38-28-29-42(41-24-12-11-23-40(38)41)50-52-49(35-18-5-2-6-19-35)53-51(54-50)44-31-36-20-7-8-21-37(36)32-47(44)55-45-26-14-13-25-43(45)48-39-22-10-9-17-34(39)27-30-46(48)55/h1-32H
• InChIKey: VXSYGDGFZVWUGK-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 7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]carbazole?

The IUPAC name of 7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]carbazole (CID 166916847) is 7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]carbazole.

What is the SMILES notation for 7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]carbazole?

The canonical SMILES for 7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]carbazole is c1ccc(-c2nc(-c3cc4ccccc4cc3-n3c4ccccc4c4c5ccccc5ccc43)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1.

What is the InChIKey of 7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]carbazole?

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

What are the key properties of 7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]carbazole?

7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]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 7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]carbazole is sourced from PubChem (CID 166916847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).