N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine

C174H123N3OS2 — CID 160610826

About N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine

N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 160610826) has the molecular formula C174H123N3OS2 and a molecular weight of 2336.05 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
• PubChem CID: 160610826
• Molecular Formula: C174H123N3OS2
• Molecular Weight: 2336.05 g/mol
• Exact Mass: 2333.91
• IUPAC Name: N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C58H41NO.2C58H41NS/c1-57(2)51-28-12-9-23-45(51)47-33-31-43(37-54(47)57)59(41-22-15-17-38(35-41)44-26-16-27-49-48-25-11-14-30-55(48)60-56(44)49)42-32-34-53-50(36-42)46-24-10-13-29-52(46)58(53,39-18-5-3-6-19-39)40-20-7-4-8-21-40;1-57(2)51-25-12-9-20-45(51)47-34-32-43(37-54(47)57)59(41-30-28-38(29-31-41)44-23-15-24-49-48-22-11-14-27-55(48)60-56(44)49)42-33-35-53-50(36-42)46-21-10-13-26-52(46)58(53,39-16-5-3-6-17-39)40-18-7-4-8-19-40;1-57(2)51-22-12-9-19-45(51)47-32-30-44(37-54(47)57)59(42-28-25-38(26-29-42)39-27-34-56-50(35-39)48-21-11-14-24-55(48)60-56)43-31-33-53-49(36-43)46-20-10-13-23-52(46)58(53,40-15-5-3-6-16-40)41-17-7-4-8-18-41/h3*3-37H,1-2H3
• InChIKey: RFMJKDXCUYYCMG-UHFFFAOYSA-N
• XLogP: 47.11
• TPSA: 22.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2336.05
LogP ≤ 5	47.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine?

The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine (CID 160610826) is N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine?

The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine?

The InChIKey is RFMJKDXCUYYCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO.2C58H41NS/c1-57(2)51-28-12-9-23-45(51)47-33-31-43(37-54(47)57)59(41-22-15-17-38(35-41)44-26-16-27-49-48-25-11-14-30-55(48)60-56(44)49)42-32-34-53-50(36-42)46-24-10-13-29-52(46)58(53,39-18-5-3-6-19-39)40-20-7-4-8-21-40;1-57(2)51-25-12-9-20-45(51)47-34-32-43(37-54(47)57)59(41-30-28-38(29-31-41)44-23-15-24-49-48-22-11-14-27-55(48)60-56(44)49)42-33-35-53-50(36-42)46-21-10-13-26-52(46)58(53,39-16-5-3-6-17-39)40-18-7-4-8-19-40;1-57(2)51-22-12-9-19-45(51)47-32-30-44(37-54(47)57)59(42-28-25-38(26-29-42)39-27-34-56-50(35-39)48-21-11-14-24-55(48)60-56)43-31-33-53-49(36-43)46-20-10-13-23-52(46)58(53,40-15-5-3-6-16-40)41-17-7-4-8-18-41/h3*3-37H,1-2H3.

What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine?

N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 2336.05 g/mol, XLogP of 47.11, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 160610826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).