5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole

C69H42N6O — CID 138475173

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole (PubChem CID 138475173) has the molecular formula C69H42N6O and a molecular weight of 971.14 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
• PubChem CID: 138475173
• Molecular Formula: C69H42N6O
• Molecular Weight: 971.14 g/mol
• Exact Mass: 970.34
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)c7c6c5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1
• InChI: InChI=1S/C69H42N6O/c1-5-18-43(19-6-1)67-70-68(44-20-7-2-8-21-44)72-69(71-67)75-61-35-32-45(38-54(61)56-42-62-55(41-63(56)75)52-27-14-16-30-59(52)74(62)49-24-11-4-12-25-49)46-34-37-64-57(39-46)66-50(28-17-31-65(66)76-64)47-33-36-60-53(40-47)51-26-13-15-29-58(51)73(60)48-22-9-3-10-23-48/h1-42H
• InChIKey: SCVJYEONWAGPKS-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 66.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.14
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole?

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole (CID 138475173) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole.

What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole?

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)c7c6c5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.

What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole?

The InChIKey is SCVJYEONWAGPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N6O/c1-5-18-43(19-6-1)67-70-68(44-20-7-2-8-21-44)72-69(71-67)75-61-35-32-45(38-54(61)56-42-62-55(41-63(56)75)52-27-14-16-30-59(52)74(62)49-24-11-4-12-25-49)46-34-37-64-57(39-46)66-50(28-17-31-65(66)76-64)47-33-36-60-53(40-47)51-26-13-15-29-58(51)73(60)48-22-9-3-10-23-48/h1-42H.

What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole?

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole has a molecular weight of 971.14 g/mol, XLogP of 17.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole is sourced from PubChem (CID 138475173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).