8-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzofuran-3-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-4-yl-8-N-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-1-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine

C229H158N12O2S6 — CID 157450308

About 8-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzofuran-3-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-4-yl-8-N-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-1-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine

8-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzofuran-3-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-4-yl-8-N-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-1-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine (PubChem CID 157450308) has the molecular formula C229H158N12O2S6 and a molecular weight of 3302.27 g/mol. Its IUPAC name is 8-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzofuran-3-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-4-yl-8-N-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-1-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine.

Molecular Properties

• Compound Name: 8-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzofuran-3-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-4-yl-8-N-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-1-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine
• PubChem CID: 157450308
• Molecular Formula: C229H158N12O2S6
• Molecular Weight: 3302.27 g/mol
• Exact Mass: 3299.10
• IUPAC Name: 8-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzofuran-3-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-4-yl-8-N-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-1-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)c4c(c3)sc3ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc34)cc21.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)sc2ccc(N(c4ccc5ccccc5c4)c4cccc5c4sc4ccccc45)cc23)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)sc2ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc23)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)sc2ccc(N(c4ccccc4)c4cccc5sc6ccccc6c45)cc23)cc1
• InChI: InChI=1S/C63H45N3OS.C58H39N3S2.C54H37N3OS.C54H37N3S2/c1-63(2)55-29-17-15-27-50(55)51-34-31-48(39-56(51)63)65(43-21-9-4-10-22-43)49-40-57(66(44-23-11-5-12-24-44)45-25-13-6-14-26-45)62-54-38-47(33-36-60(54)68-61(62)41-49)64(42-19-7-3-8-20-42)46-32-35-59-53(37-46)52-28-16-18-30-58(52)67-59;1-5-20-42(21-6-1)59(43-22-7-2-8-23-43)48-38-53(60(44-24-9-3-10-25-44)45-26-11-4-12-27-45)57-51-37-47(34-35-55(51)62-56(57)39-48)61(46-33-32-40-18-13-14-19-41(40)36-46)52-30-17-29-50-49-28-15-16-31-54(49)63-58(50)52;1-6-18-38(19-7-1)55(39-20-8-2-9-21-39)45-35-49(57(41-24-12-4-13-25-41)42-26-14-5-15-27-42)54-48-34-43(31-33-52(48)59-53(54)37-45)56(40-22-10-3-11-23-40)44-30-32-47-46-28-16-17-29-50(46)58-51(47)36-44;1-6-19-38(20-7-1)55(39-21-8-2-9-22-39)44-36-48(56(40-23-10-3-11-24-40)41-25-12-4-13-26-41)54-46-35-43(33-34-50(46)59-52(54)37-44)57(42-27-14-5-15-28-42)47-30-18-32-51-53(47)45-29-16-17-31-49(45)58-51/h3-41H,1-2H3;1-39H;2*1-37H
• InChIKey: BSSJZCMKCMJWET-UHFFFAOYSA-N
• XLogP: 69.85
• TPSA: 65.16 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 36
• Heavy Atoms: 249
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3302.27
LogP ≤ 5	69.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 8-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzofuran-3-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-4-yl-8-N-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-1-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine?

The IUPAC name of 8-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzofuran-3-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-4-yl-8-N-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-1-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine (CID 157450308) is 8-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzofuran-3-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-4-yl-8-N-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-1-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine.

What is the SMILES notation for 8-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzofuran-3-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-4-yl-8-N-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-1-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine?

The canonical SMILES for 8-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzofuran-3-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-4-yl-8-N-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-1-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)c4c(c3)sc3ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc34)cc21.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)sc2ccc(N(c4ccc5ccccc5c4)c4cccc5c4sc4ccccc45)cc23)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)sc2ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc23)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)sc2ccc(N(c4ccccc4)c4cccc5sc6ccccc6c45)cc23)cc1.

What is the InChIKey of 8-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzofuran-3-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-4-yl-8-N-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-1-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine?

The InChIKey is BSSJZCMKCMJWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N3OS.C58H39N3S2.C54H37N3OS.C54H37N3S2/c1-63(2)55-29-17-15-27-50(55)51-34-31-48(39-56(51)63)65(43-21-9-4-10-22-43)49-40-57(66(44-23-11-5-12-24-44)45-25-13-6-14-26-45)62-54-38-47(33-36-60(54)68-61(62)41-49)64(42-19-7-3-8-20-42)46-32-35-59-53(37-46)52-28-16-18-30-58(52)67-59;1-5-20-42(21-6-1)59(43-22-7-2-8-23-43)48-38-53(60(44-24-9-3-10-25-44)45-26-11-4-12-27-45)57-51-37-47(34-35-55(51)62-56(57)39-48)61(46-33-32-40-18-13-14-19-41(40)36-46)52-30-17-29-50-49-28-15-16-31-54(49)63-58(50)52;1-6-18-38(19-7-1)55(39-20-8-2-9-21-39)45-35-49(57(41-24-12-4-13-25-41)42-26-14-5-15-27-42)54-48-34-43(31-33-52(48)59-53(54)37-45)56(40-22-10-3-11-23-40)44-30-32-47-46-28-16-17-29-50(46)58-51(47)36-44;1-6-19-38(20-7-1)55(39-21-8-2-9-22-39)44-36-48(56(40-23-10-3-11-24-40)41-25-12-4-13-26-41)54-46-35-43(33-34-50(46)59-52(54)37-44)57(42-27-14-5-15-28-42)47-30-18-32-51-53(47)45-29-16-17-31-49(45)58-51/h3-41H,1-2H3;1-39H;2*1-37H.

What are the key properties of 8-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzofuran-3-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-4-yl-8-N-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-1-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine?

8-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzofuran-3-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-4-yl-8-N-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-1-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine has a molecular weight of 3302.27 g/mol, XLogP of 69.85, 36 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzofuran-3-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-4-yl-8-N-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-1-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine is sourced from PubChem (CID 157450308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).