9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole

C88H54N2Se — CID 159766778

About 9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole

9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole (PubChem CID 159766778) has the molecular formula C88H54N2Se and a molecular weight of 1218.37 g/mol. Its IUPAC name is 9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole
• PubChem CID: 159766778
• Molecular Formula: C88H54N2Se
• Molecular Weight: 1218.37 g/mol
• Exact Mass: 1218.35
• IUPAC Name: 9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c3ccccc3c(-c3cccc4c3[se]c3cccc(-c5c6ccccc6c(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)c6ccccc56)c34)c3ccccc23)cc1
• InChI: InChI=1S/C88H54N2Se/c1-5-23-55(24-6-1)59-43-47-78-74(51-59)75-52-60(56-25-7-2-8-26-56)44-48-79(75)89(78)86-67-35-17-13-31-63(67)83(64-32-14-18-36-68(64)86)71-39-22-42-82-85(71)73-41-21-40-72(88(73)91-82)84-65-33-15-19-37-69(65)87(70-38-20-16-34-66(70)84)90-80-49-45-61(57-27-9-3-10-28-57)53-76(80)77-54-62(46-50-81(77)90)58-29-11-4-12-30-58/h1-54H
• InChIKey: GWWBHHIZPXWYAA-UHFFFAOYSA-N
• XLogP: 23.86
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1218.37
LogP ≤ 5	23.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole?

The IUPAC name of 9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole (CID 159766778) is 9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole.

What is the SMILES notation for 9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole?

The canonical SMILES for 9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c3ccccc3c(-c3cccc4c3[se]c3cccc(-c5c6ccccc6c(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)c6ccccc56)c34)c3ccccc23)cc1.

What is the InChIKey of 9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole?

The InChIKey is GWWBHHIZPXWYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H54N2Se/c1-5-23-55(24-6-1)59-43-47-78-74(51-59)75-52-60(56-25-7-2-8-26-56)44-48-79(75)89(78)86-67-35-17-13-31-63(67)83(64-32-14-18-36-68(64)86)71-39-22-42-82-85(71)73-41-21-40-72(88(73)91-82)84-65-33-15-19-37-69(65)87(70-38-20-16-34-66(70)84)90-80-49-45-61(57-27-9-3-10-28-57)53-76(80)77-54-62(46-50-81(77)90)58-29-11-4-12-30-58/h1-54H.

What are the key properties of 9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole?

9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole has a molecular weight of 1218.37 g/mol, XLogP of 23.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 159766778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).