11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole

C142H86N14O2S2 — CID 157152742

About 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole (PubChem CID 157152742) has the molecular formula C142H86N14O2S2 and a molecular weight of 2084.48 g/mol. Its IUPAC name is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole
• PubChem CID: 157152742
• Molecular Formula: C142H86N14O2S2
• Molecular Weight: 2084.48 g/mol
• Exact Mass: 2082.65
• IUPAC Name: 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)c3)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)nc3ccccc23)cc1
• InChI: InChI=1S/C39H24N4O.C39H24N4S.C32H19N3O.C32H19N3S/c2*1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)27-16-11-17-28(22-27)43-33-20-9-7-18-29(33)31-24-36-32(23-34(31)43)30-19-8-10-21-35(30)44-36;2*1-2-10-20(11-3-1)29-25-14-4-7-15-26(25)33-32(34-29)35-27-16-8-5-12-21(27)23-18-19-24-22-13-6-9-17-28(22)36-31(24)30(23)35/h2*1-24H;2*1-19H
• InChIKey: ALLGBWMVMITQNN-UHFFFAOYSA-N
• XLogP: 37.26
• TPSA: 174.90 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2084.48
LogP ≤ 5	37.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole?

The IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole (CID 157152742) is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole.

What is the SMILES notation for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole?

The canonical SMILES for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)c3)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)nc3ccccc23)cc1.

What is the InChIKey of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole?

The InChIKey is ALLGBWMVMITQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O.C39H24N4S.C32H19N3O.C32H19N3S/c2*1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)27-16-11-17-28(22-27)43-33-20-9-7-18-29(33)31-24-36-32(23-34(31)43)30-19-8-10-21-35(30)44-36;2*1-2-10-20(11-3-1)29-25-14-4-7-15-26(25)33-32(34-29)35-27-16-8-5-12-21(27)23-18-19-24-22-13-6-9-17-28(22)36-31(24)30(23)35/h2*1-24H;2*1-19H.

What are the key properties of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole?

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 2084.48 g/mol, XLogP of 37.26, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 157152742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).