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

C59H35N5O — CID 164714953

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

5-[1-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole (PubChem CID 164714953) has the molecular formula C59H35N5O and a molecular weight of 829.96 g/mol. Its IUPAC name is 5-[1-[4-phenyl-6-(9-phenylcarbazol-2-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-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
• PubChem CID: 164714953
• Molecular Formula: C59H35N5O
• Molecular Weight: 829.96 g/mol
• Exact Mass: 829.28
• IUPAC Name: 5-[1-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)cc4oc5cc6ccccc6cc5c34)n2)cc1
• InChI: InChI=1S/C59H35N5O/c1-3-15-36(16-4-1)57-60-58(41-27-28-46-44-23-11-13-25-50(44)63(52(46)32-41)42-21-5-2-6-22-42)62-59(61-57)49-34-43(35-55-56(49)48-30-38-18-8-10-20-40(38)33-54(48)65-55)64-51-26-14-12-24-45(51)47-29-37-17-7-9-19-39(37)31-53(47)64/h1-35H
• InChIKey: HGCUTELKRDGZNO-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.96
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-phenyl-6-(9-phenylcarbazol-2-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-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole (CID 164714953) is 5-[1-[4-phenyl-6-(9-phenylcarbazol-2-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-phenyl-6-(9-phenylcarbazol-2-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-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)cc4oc5cc6ccccc6cc5c34)n2)cc1.

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

The InChIKey is HGCUTELKRDGZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N5O/c1-3-15-36(16-4-1)57-60-58(41-27-28-46-44-23-11-13-25-50(44)63(52(46)32-41)42-21-5-2-6-22-42)62-59(61-57)49-34-43(35-55-56(49)48-30-38-18-8-10-20-40(38)33-54(48)65-55)64-51-26-14-12-24-45(51)47-29-37-17-7-9-19-39(37)31-53(47)64/h1-35H.

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

5-[1-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole has a molecular weight of 829.96 g/mol, XLogP of 15.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 164714953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).