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

C59H35N5OS — CID 166699790

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

5-[3-(4-carbazol-9-yl-2-dibenzothiophen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole (PubChem CID 166699790) has the molecular formula C59H35N5OS and a molecular weight of 862.03 g/mol. Its IUPAC name is 5-[3-(4-carbazol-9-yl-2-dibenzothiophen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[3-(4-carbazol-9-yl-2-dibenzothiophen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
• PubChem CID: 166699790
• Molecular Formula: C59H35N5OS
• Molecular Weight: 862.03 g/mol
• Exact Mass: 861.26
• IUPAC Name: 5-[3-(4-carbazol-9-yl-2-dibenzothiophen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
• SMILES: c1ccc2cc3c(cc2c1)oc1cc(C2=NC(n4c5ccccc5c5ccccc54)=NC(c4ccc5sc6ccccc6c5c4)N2)c(-n2c4ccccc4c4cc5ccccc5cc42)cc13
• InChI: InChI=1S/C59H35N5OS/c1-3-15-36-30-51-43(27-34(36)13-1)41-19-7-9-21-48(41)63(51)52-32-45-44-28-35-14-2-4-16-37(35)31-53(44)65-54(45)33-47(52)58-60-57(38-25-26-56-46(29-38)42-20-8-12-24-55(42)66-56)61-59(62-58)64-49-22-10-5-17-39(49)40-18-6-11-23-50(40)64/h1-33,57H,(H,60,61,62)
• InChIKey: MSEGJBZUAQTBHZ-UHFFFAOYSA-N
• XLogP: 15.42
• TPSA: 59.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.03
LogP ≤ 5	15.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-carbazol-9-yl-2-dibenzothiophen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole?

The IUPAC name of 5-[3-(4-carbazol-9-yl-2-dibenzothiophen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole (CID 166699790) is 5-[3-(4-carbazol-9-yl-2-dibenzothiophen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole.

What is the SMILES notation for 5-[3-(4-carbazol-9-yl-2-dibenzothiophen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole?

The canonical SMILES for 5-[3-(4-carbazol-9-yl-2-dibenzothiophen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)oc1cc(C2=NC(n4c5ccccc5c5ccccc54)=NC(c4ccc5sc6ccccc6c5c4)N2)c(-n2c4ccccc4c4cc5ccccc5cc42)cc13.

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

The InChIKey is MSEGJBZUAQTBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N5OS/c1-3-15-36-30-51-43(27-34(36)13-1)41-19-7-9-21-48(41)63(51)52-32-45-44-28-35-14-2-4-16-37(35)31-53(44)65-54(45)33-47(52)58-60-57(38-25-26-56-46(29-38)42-20-8-12-24-55(42)66-56)61-59(62-58)64-49-22-10-5-17-39(49)40-18-6-11-23-50(40)64/h1-33,57H,(H,60,61,62).

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

5-[3-(4-carbazol-9-yl-2-dibenzothiophen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole has a molecular weight of 862.03 g/mol, XLogP of 15.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4-carbazol-9-yl-2-dibenzothiophen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 166699790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).