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

C63H37N5O — CID 164714605

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

5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole (PubChem CID 164714605) has the molecular formula C63H37N5O and a molecular weight of 880.02 g/mol. Its IUPAC name is 5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
• PubChem CID: 164714605
• Molecular Formula: C63H37N5O
• Molecular Weight: 880.02 g/mol
• Exact Mass: 879.30
• IUPAC Name: 5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)cc6oc7cc8ccccc8cc7c56)n4)cccc32)cc1
• InChI: InChI=1S/C63H37N5O/c1-2-21-45(22-3-1)67-54-27-13-11-24-48(54)59-49(25-14-28-55(59)67)62-64-61(44-30-29-38-15-4-5-16-39(38)31-44)65-63(66-62)52-36-46(37-58-60(52)51-33-41-18-7-9-20-43(41)35-57(51)69-58)68-53-26-12-10-23-47(53)50-32-40-17-6-8-19-42(40)34-56(50)68/h1-37H
• InChIKey: DKJZSCHZOAJHTN-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-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole?

The IUPAC name of 5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole (CID 164714605) is 5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)cc6oc7cc8ccccc8cc7c56)n4)cccc32)cc1.

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

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

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

5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-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-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 164714605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).