3-N-[3-[3,5-bis(N-dibenzoselenophen-4-ylanilino)phenoxy]phenyl]-1-N,3-N,5-N-tri(dibenzoselenophen-4-yl)-1-N,5-N-diphenylbenzene-1,3,5-triamine

C102H65N5OSe5 — CID 164938030

About 3-N-[3-[3,5-bis(N-dibenzoselenophen-4-ylanilino)phenoxy]phenyl]-1-N,3-N,5-N-tri(dibenzoselenophen-4-yl)-1-N,5-N-diphenylbenzene-1,3,5-triamine

3-N-[3-[3,5-bis(N-dibenzoselenophen-4-ylanilino)phenoxy]phenyl]-1-N,3-N,5-N-tri(dibenzoselenophen-4-yl)-1-N,5-N-diphenylbenzene-1,3,5-triamine (PubChem CID 164938030) has the molecular formula C102H65N5OSe5 and a molecular weight of 1771.48 g/mol. Its IUPAC name is 3-N-[3-[3,5-bis(N-dibenzoselenophen-4-ylanilino)phenoxy]phenyl]-1-N,3-N,5-N-tri(dibenzoselenophen-4-yl)-1-N,5-N-diphenylbenzene-1,3,5-triamine.

Molecular Properties

• Compound Name: 3-N-[3-[3,5-bis(N-dibenzoselenophen-4-ylanilino)phenoxy]phenyl]-1-N,3-N,5-N-tri(dibenzoselenophen-4-yl)-1-N,5-N-diphenylbenzene-1,3,5-triamine
• PubChem CID: 164938030
• Molecular Formula: C102H65N5OSe5
• Molecular Weight: 1771.48 g/mol
• Exact Mass: 1775.10
• IUPAC Name: 3-N-[3-[3,5-bis(N-dibenzoselenophen-4-ylanilino)phenoxy]phenyl]-1-N,3-N,5-N-tri(dibenzoselenophen-4-yl)-1-N,5-N-diphenylbenzene-1,3,5-triamine
• SMILES: c1ccc(N(c2cc(Oc3cccc(N(c4cc(N(c5ccccc5)c5cccc6c5[se]c5ccccc56)cc(N(c5ccccc5)c5cccc6c5[se]c5ccccc56)c4)c4cccc5c4[se]c4ccccc45)c3)cc(N(c3ccccc3)c3cccc4c3[se]c3ccccc34)c2)c2cccc3c2[se]c2ccccc23)cc1
• InChI: InChI=1S/C102H65N5OSe5/c1-5-29-66(30-6-1)103(88-49-24-44-83-78-39-13-18-54-93(78)109-98(83)88)71-59-72(104(67-31-7-2-8-32-67)89-50-25-45-84-79-40-14-19-55-94(79)110-99(84)89)61-73(60-71)107(92-53-28-48-87-82-43-17-22-58-97(82)113-102(87)92)70-37-23-38-76(63-70)108-77-64-74(105(68-33-9-3-10-34-68)90-51-26-46-85-80-41-15-20-56-95(80)111-100(85)90)62-75(65-77)106(69-35-11-4-12-36-69)91-52-27-47-86-81-42-16-21-57-96(81)112-101(86)91/h1-65H
• InChIKey: MZFBKMRFMPQFSS-UHFFFAOYSA-N
• XLogP: 27.64
• TPSA: 25.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1771.48
LogP ≤ 5	27.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-[3,5-bis(N-dibenzoselenophen-4-ylanilino)phenoxy]phenyl]-1-N,3-N,5-N-tri(dibenzoselenophen-4-yl)-1-N,5-N-diphenylbenzene-1,3,5-triamine?

The IUPAC name of 3-N-[3-[3,5-bis(N-dibenzoselenophen-4-ylanilino)phenoxy]phenyl]-1-N,3-N,5-N-tri(dibenzoselenophen-4-yl)-1-N,5-N-diphenylbenzene-1,3,5-triamine (CID 164938030) is 3-N-[3-[3,5-bis(N-dibenzoselenophen-4-ylanilino)phenoxy]phenyl]-1-N,3-N,5-N-tri(dibenzoselenophen-4-yl)-1-N,5-N-diphenylbenzene-1,3,5-triamine.

What is the SMILES notation for 3-N-[3-[3,5-bis(N-dibenzoselenophen-4-ylanilino)phenoxy]phenyl]-1-N,3-N,5-N-tri(dibenzoselenophen-4-yl)-1-N,5-N-diphenylbenzene-1,3,5-triamine?

The canonical SMILES for 3-N-[3-[3,5-bis(N-dibenzoselenophen-4-ylanilino)phenoxy]phenyl]-1-N,3-N,5-N-tri(dibenzoselenophen-4-yl)-1-N,5-N-diphenylbenzene-1,3,5-triamine is c1ccc(N(c2cc(Oc3cccc(N(c4cc(N(c5ccccc5)c5cccc6c5[se]c5ccccc56)cc(N(c5ccccc5)c5cccc6c5[se]c5ccccc56)c4)c4cccc5c4[se]c4ccccc45)c3)cc(N(c3ccccc3)c3cccc4c3[se]c3ccccc34)c2)c2cccc3c2[se]c2ccccc23)cc1.

What is the InChIKey of 3-N-[3-[3,5-bis(N-dibenzoselenophen-4-ylanilino)phenoxy]phenyl]-1-N,3-N,5-N-tri(dibenzoselenophen-4-yl)-1-N,5-N-diphenylbenzene-1,3,5-triamine?

The InChIKey is MZFBKMRFMPQFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H65N5OSe5/c1-5-29-66(30-6-1)103(88-49-24-44-83-78-39-13-18-54-93(78)109-98(83)88)71-59-72(104(67-31-7-2-8-32-67)89-50-25-45-84-79-40-14-19-55-94(79)110-99(84)89)61-73(60-71)107(92-53-28-48-87-82-43-17-22-58-97(82)113-102(87)92)70-37-23-38-76(63-70)108-77-64-74(105(68-33-9-3-10-34-68)90-51-26-46-85-80-41-15-20-56-95(80)111-100(85)90)62-75(65-77)106(69-35-11-4-12-36-69)91-52-27-47-86-81-42-16-21-57-96(81)112-101(86)91/h1-65H.

What are the key properties of 3-N-[3-[3,5-bis(N-dibenzoselenophen-4-ylanilino)phenoxy]phenyl]-1-N,3-N,5-N-tri(dibenzoselenophen-4-yl)-1-N,5-N-diphenylbenzene-1,3,5-triamine?

3-N-[3-[3,5-bis(N-dibenzoselenophen-4-ylanilino)phenoxy]phenyl]-1-N,3-N,5-N-tri(dibenzoselenophen-4-yl)-1-N,5-N-diphenylbenzene-1,3,5-triamine has a molecular weight of 1771.48 g/mol, XLogP of 27.64, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-[3-[3,5-bis(N-dibenzoselenophen-4-ylanilino)phenoxy]phenyl]-1-N,3-N,5-N-tri(dibenzoselenophen-4-yl)-1-N,5-N-diphenylbenzene-1,3,5-triamine is sourced from PubChem (CID 164938030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).