12-phenyl-2-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole

C63H39N5O — CID 171591794

About 12-phenyl-2-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole

12-phenyl-2-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 171591794) has the molecular formula C63H39N5O and a molecular weight of 882.04 g/mol. Its IUPAC name is 12-phenyl-2-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

• Compound Name: 12-phenyl-2-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
• PubChem CID: 171591794
• Molecular Formula: C63H39N5O
• Molecular Weight: 882.04 g/mol
• Exact Mass: 881.32
• IUPAC Name: 12-phenyl-2-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4c4ccc6oc7ccc(-n8c9ccccc9c9cc(-c%10ccccc%10)ccc98)cc7c6c4n5-c4ccccc4)n3)cc2)cc1
• InChI: InChI=1S/C63H39N5O/c1-5-16-40(17-6-1)42-28-30-44(31-29-42)62-64-61(43-20-9-3-10-21-43)65-63(66-62)50-25-15-27-55-58(50)49-34-37-57-59(60(49)68(55)46-22-11-4-12-23-46)52-39-47(33-36-56(52)69-57)67-53-26-14-13-24-48(53)51-38-45(32-35-54(51)67)41-18-7-2-8-19-41/h1-39H
• InChIKey: ODMWYAPRWREXPO-UHFFFAOYSA-N
• XLogP: 16.30
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.04
LogP ≤ 5	16.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-2-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole?

The IUPAC name of 12-phenyl-2-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole (CID 171591794) is 12-phenyl-2-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole.

What is the SMILES notation for 12-phenyl-2-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole?

The canonical SMILES for 12-phenyl-2-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4c4ccc6oc7ccc(-n8c9ccccc9c9cc(-c%10ccccc%10)ccc98)cc7c6c4n5-c4ccccc4)n3)cc2)cc1.

What is the InChIKey of 12-phenyl-2-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole?

The InChIKey is ODMWYAPRWREXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5O/c1-5-16-40(17-6-1)42-28-30-44(31-29-42)62-64-61(43-20-9-3-10-21-43)65-63(66-62)50-25-15-27-55-58(50)49-34-37-57-59(60(49)68(55)46-22-11-4-12-23-46)52-39-47(33-36-56(52)69-57)67-53-26-14-13-24-48(53)51-38-45(32-35-54(51)67)41-18-7-2-8-19-41/h1-39H.

What are the key properties of 12-phenyl-2-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole?

12-phenyl-2-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 882.04 g/mol, XLogP of 16.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-phenyl-2-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 171591794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).