9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

C61H38N4O — CID 146183194

About 9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 146183194) has the molecular formula C61H38N4O and a molecular weight of 843.00 g/mol. Its IUPAC name is 9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 146183194
• Molecular Formula: C61H38N4O
• Molecular Weight: 843.00 g/mol
• Exact Mass: 842.30
• IUPAC Name: 9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-c4nc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccccc5-n5c6ccccc6c6ccccc65)n4)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C61H38N4O/c1-2-16-40(17-3-1)57-47-21-5-7-23-49(47)58(50-24-8-6-22-48(50)57)41-32-36-43(37-33-41)60-62-59(42-34-30-39(31-35-42)56-38-44-18-4-15-29-55(44)66-56)63-61(64-60)51-25-11-14-28-54(51)65-52-26-12-9-19-45(52)46-20-10-13-27-53(46)65/h1-38H
• InChIKey: INKTUOSDIPDRQU-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.00
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (CID 146183194) is 9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

The canonical SMILES for 9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2c3ccccc3c(-c3ccc(-c4nc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccccc5-n5c6ccccc6c6ccccc65)n4)cc3)c3ccccc23)cc1.

What is the InChIKey of 9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

The InChIKey is INKTUOSDIPDRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N4O/c1-2-16-40(17-3-1)57-47-21-5-7-23-49(47)58(50-24-8-6-22-48(50)57)41-32-36-43(37-33-41)60-62-59(42-34-30-39(31-35-42)56-38-44-18-4-15-29-55(44)66-56)63-61(64-60)51-25-11-14-28-54(51)65-52-26-12-9-19-45(52)46-20-10-13-27-53(46)65/h1-38H.

What are the key properties of 9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 843.00 g/mol, XLogP of 16.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 146183194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).