2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran

C126H73NO5S3 — CID 162164697

About 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran

2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran (PubChem CID 162164697) has the molecular formula C126H73NO5S3 and a molecular weight of 1777.17 g/mol. Its IUPAC name is 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran.

Molecular Properties

• Compound Name: 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran
• PubChem CID: 162164697
• Molecular Formula: C126H73NO5S3
• Molecular Weight: 1777.17 g/mol
• Exact Mass: 1775.47
• IUPAC Name: 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran
• SMILES: c1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)cc12.c1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)cc12.c1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)cc12
• InChI: InChI=1S/C42H25NO2.C42H24O2S.C42H24OS2/c1-5-13-37-31(9-1)32-10-2-6-14-38(32)43(37)30-22-28(26-17-19-41-35(24-26)33-11-3-7-15-39(33)44-41)21-29(23-30)27-18-20-42-36(25-27)34-12-4-8-16-40(34)45-42;1-4-10-37-31(7-1)34-22-25(13-16-39(34)43-37)28-19-29(26-14-17-40-35(23-26)32-8-2-5-11-38(32)44-40)21-30(20-28)27-15-18-42-36(24-27)33-9-3-6-12-41(33)45-42;1-4-10-37-31(7-1)34-22-25(13-16-38(34)43-37)28-19-29(26-14-17-41-35(23-26)32-8-2-5-11-39(32)44-41)21-30(20-28)27-15-18-42-36(24-27)33-9-3-6-12-40(33)45-42/h1-25H;2*1-24H
• InChIKey: ZMYSMZPTTNPHFO-UHFFFAOYSA-N
• XLogP: 38.09
• TPSA: 70.63 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1777.17
LogP ≤ 5	38.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran?

The IUPAC name of 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran (CID 162164697) is 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran.

What is the SMILES notation for 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran?

The canonical SMILES for 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran is c1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)cc12.c1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)cc12.c1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)cc12.

What is the InChIKey of 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran?

The InChIKey is ZMYSMZPTTNPHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2.C42H24O2S.C42H24OS2/c1-5-13-37-31(9-1)32-10-2-6-14-38(32)43(37)30-22-28(26-17-19-41-35(24-26)33-11-3-7-15-39(33)44-41)21-29(23-30)27-18-20-42-36(25-27)34-12-4-8-16-40(34)45-42;1-4-10-37-31(7-1)34-22-25(13-16-39(34)43-37)28-19-29(26-14-17-40-35(23-26)32-8-2-5-11-38(32)44-40)21-30(20-28)27-15-18-42-36(24-27)33-9-3-6-12-41(33)45-42;1-4-10-37-31(7-1)34-22-25(13-16-38(34)43-37)28-19-29(26-14-17-41-35(23-26)32-8-2-5-11-39(32)44-41)21-30(20-28)27-15-18-42-36(24-27)33-9-3-6-12-40(33)45-42/h1-25H;2*1-24H.

What are the key properties of 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran?

2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran has a molecular weight of 1777.17 g/mol, XLogP of 38.09, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran is sourced from PubChem (CID 162164697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).