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

C63H37N5O — CID 163428108

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

5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole (PubChem CID 163428108) has the molecular formula C63H37N5O and a molecular weight of 880.02 g/mol. Its IUPAC name is 5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole
• PubChem CID: 163428108
• Molecular Formula: C63H37N5O
• Molecular Weight: 880.02 g/mol
• Exact Mass: 879.30
• IUPAC Name: 5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6oc7ccccc7c6c6cc(-n7c8ccccc8c8cc9ccccc9cc87)ccc56)n4)ccc32)cc1
• InChI: InChI=1S/C63H37N5O/c1-2-18-44(19-3-1)67-54-23-11-8-20-47(54)50-34-43(28-31-56(50)67)62-64-61(42-27-26-38-14-4-5-15-39(38)32-42)65-63(66-62)53-37-59-60(49-22-10-13-25-58(49)69-59)52-36-45(29-30-46(52)53)68-55-24-12-9-21-48(55)51-33-40-16-6-7-17-41(40)35-57(51)68/h1-37H
• InChIKey: AOFSKWOZPPTSKM-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.02
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole (CID 163428108) is 5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6oc7ccccc7c6c6cc(-n7c8ccccc8c8cc9ccccc9cc87)ccc56)n4)ccc32)cc1.

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

The InChIKey is AOFSKWOZPPTSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N5O/c1-2-18-44(19-3-1)67-54-23-11-8-20-47(54)50-34-43(28-31-56(50)67)62-64-61(42-27-26-38-14-4-5-15-39(38)32-42)65-63(66-62)53-37-59-60(49-22-10-13-25-58(49)69-59)52-36-45(29-30-46(52)53)68-55-24-12-9-21-48(55)51-33-40-16-6-7-17-41(40)35-57(51)68/h1-37H.

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

5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole has a molecular weight of 880.02 g/mol, XLogP of 16.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 163428108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).