5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole

C57H35N5 — CID 146621118

About 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole

5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146621118) has the molecular formula C57H35N5 and a molecular weight of 789.94 g/mol. Its IUPAC name is 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
• PubChem CID: 146621118
• Molecular Formula: C57H35N5
• Molecular Weight: 789.94 g/mol
• Exact Mass: 789.29
• IUPAC Name: 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5-n5c6ccccc6c6cc7ccccc7cc65)n4)ccc32)cc1
• InChI: InChI=1S/C57H35N5/c1-2-19-43(20-3-1)61-50-24-12-10-22-45(50)48-34-42(29-31-52(48)61)56-58-55(41-27-26-36-14-4-5-16-38(36)32-41)59-57(60-56)47-30-28-37-15-8-9-21-44(37)54(47)62-51-25-13-11-23-46(51)49-33-39-17-6-7-18-40(39)35-53(49)62/h1-35H
• InChIKey: FPSPQRVKGABXND-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.94
LogP ≤ 5	14.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole (CID 146621118) is 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5-n5c6ccccc6c6cc7ccccc7cc65)n4)ccc32)cc1.

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

The InChIKey is FPSPQRVKGABXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5/c1-2-19-43(20-3-1)61-50-24-12-10-22-45(50)48-34-42(29-31-52(48)61)56-58-55(41-27-26-36-14-4-5-16-38(36)32-41)59-57(60-56)47-30-28-37-15-8-9-21-44(37)54(47)62-51-25-13-11-23-46(51)49-33-39-17-6-7-18-40(39)35-53(49)62/h1-35H.

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

5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 789.94 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146621118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).