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

C59H36N4OS — CID 155430303

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

5-[4-(6-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole (PubChem CID 155430303) has the molecular formula C59H36N4OS and a molecular weight of 849.03 g/mol. Its IUPAC name is 5-[4-(6-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[4-(6-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
• PubChem CID: 155430303
• Molecular Formula: C59H36N4OS
• Molecular Weight: 849.03 g/mol
• Exact Mass: 848.26
• IUPAC Name: 5-[4-(6-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
• SMILES: c1ccc(C2N=C(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3cccc4oc5ccc6ccccc6c5c34)N=C(c3ccc4sc5ccccc5c4c3)N2)cc1
• InChI: InChI=1S/C59H36N4OS/c1-2-14-36(15-3-1)57-60-58(39-26-30-54-48(32-39)43-20-9-11-24-53(43)65-54)62-59(61-57)45-28-27-40(63-49-22-10-8-19-42(49)47-31-37-16-4-5-17-38(37)33-50(47)63)34-46(45)44-21-12-23-51-56(44)55-41-18-7-6-13-35(41)25-29-52(55)64-51/h1-34,57H,(H,60,61,62)
• InChIKey: TWMXJSPCYAEVEH-UHFFFAOYSA-N
• XLogP: 15.52
• TPSA: 54.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.03
LogP ≤ 5	15.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[4-(6-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole (CID 155430303) is 5-[4-(6-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole.

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

The canonical SMILES for 5-[4-(6-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole is c1ccc(C2N=C(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3cccc4oc5ccc6ccccc6c5c34)N=C(c3ccc4sc5ccccc5c4c3)N2)cc1.

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

The InChIKey is TWMXJSPCYAEVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4OS/c1-2-14-36(15-3-1)57-60-58(39-26-30-54-48(32-39)43-20-9-11-24-53(43)65-54)62-59(61-57)45-28-27-40(63-49-22-10-8-19-42(49)47-31-37-16-4-5-17-38(37)33-50(47)63)34-46(45)44-21-12-23-51-56(44)55-41-18-7-6-13-35(41)25-29-52(55)64-51/h1-34,57H,(H,60,61,62).

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

5-[4-(6-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole has a molecular weight of 849.03 g/mol, XLogP of 15.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(6-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole is sourced from PubChem (CID 155430303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).