5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole

C59H34N4O2 — CID 155430148

About 5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole

5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole (PubChem CID 155430148) has the molecular formula C59H34N4O2 and a molecular weight of 830.95 g/mol. Its IUPAC name is 5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
• PubChem CID: 155430148
• Molecular Formula: C59H34N4O2
• Molecular Weight: 830.95 g/mol
• Exact Mass: 830.27
• IUPAC Name: 5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3c4ccccc4cc4oc5ccccc5c34)n2)cc1
• InChI: InChI=1S/C59H34N4O2/c1-2-14-35(15-3-1)57-60-58(39-26-29-53-47(31-39)43-21-9-12-24-51(43)64-53)62-59(61-57)44-28-27-40(63-49-23-11-8-20-42(49)46-30-36-16-4-5-17-37(36)32-50(46)63)34-48(44)55-41-19-7-6-18-38(41)33-54-56(55)45-22-10-13-25-52(45)65-54/h1-34H
• InChIKey: SIRXZKMLNUBZHS-UHFFFAOYSA-N
• XLogP: 15.74
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.95
LogP ≤ 5	15.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole?

The IUPAC name of 5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole (CID 155430148) is 5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole.

What is the SMILES notation for 5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole?

The canonical SMILES for 5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3c4ccccc4cc4oc5ccccc5c34)n2)cc1.

What is the InChIKey of 5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole?

The InChIKey is SIRXZKMLNUBZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34N4O2/c1-2-14-35(15-3-1)57-60-58(39-26-29-53-47(31-39)43-21-9-12-24-51(43)64-53)62-59(61-57)44-28-27-40(63-49-23-11-8-20-42(49)46-30-36-16-4-5-17-37(36)32-50(46)63)34-48(44)55-41-19-7-6-18-38(41)33-54-56(55)45-22-10-13-25-52(45)65-54/h1-34H.

What are the key properties of 5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole?

5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole has a molecular weight of 830.95 g/mol, XLogP of 15.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole is sourced from PubChem (CID 155430148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).