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

C57H35N5 — CID 146621349

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

5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole (PubChem CID 146621349) has the molecular formula C57H35N5 and a molecular weight of 789.94 g/mol. Its IUPAC name is 5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
• PubChem CID: 146621349
• Molecular Formula: C57H35N5
• Molecular Weight: 789.94 g/mol
• Exact Mass: 789.29
• IUPAC Name: 5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5c(-n6c7ccccc7c7cc8ccccc8cc76)ccc6ccccc56)n4)cc32)cc1
• InChI: InChI=1S/C57H35N5/c1-2-19-43(20-3-1)61-49-24-12-10-22-45(49)47-30-28-42(35-52(47)61)56-58-55(41-27-26-36-14-4-5-16-38(36)32-41)59-57(60-56)54-44-21-9-8-15-37(44)29-31-51(54)62-50-25-13-11-23-46(50)48-33-39-17-6-7-18-40(39)34-53(48)62/h1-35H
• InChIKey: QXBDZVMCWSRRBX-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-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole?

The IUPAC name of 5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole (CID 146621349) is 5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5c(-n6c7ccccc7c7cc8ccccc8cc76)ccc6ccccc56)n4)cc32)cc1.

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

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

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

5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-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-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 146621349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).