3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole

C68H41NO2 — CID 87156543

About 3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole

3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole (PubChem CID 87156543) has the molecular formula C68H41NO2 and a molecular weight of 904.08 g/mol. Its IUPAC name is 3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
• PubChem CID: 87156543
• Molecular Formula: C68H41NO2
• Molecular Weight: 904.08 g/mol
• Exact Mass: 903.31
• IUPAC Name: 3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-n5c6ccc(-c7cccc8c7oc7ccccc78)cc6c6cc(-c7cccc8c7oc7ccccc78)ccc65)c4)ccc23)cc1
• InChI: InChI=1S/C68H41NO2/c1-3-16-42(17-4-1)65-53-24-7-8-25-54(53)66(43-18-5-2-6-19-43)60-39-45(32-35-55(60)65)44-20-13-21-48(38-44)69-61-36-33-46(49-26-14-28-56-51-22-9-11-30-63(51)70-67(49)56)40-58(61)59-41-47(34-37-62(59)69)50-27-15-29-57-52-23-10-12-31-64(52)71-68(50)57/h1-41H
• InChIKey: JWVNXUFZCFCUNP-UHFFFAOYSA-N
• XLogP: 19.22
• TPSA: 31.21 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	904.08
LogP ≤ 5	19.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole?

The IUPAC name of 3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole (CID 87156543) is 3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole.

What is the SMILES notation for 3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole?

The canonical SMILES for 3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-n5c6ccc(-c7cccc8c7oc7ccccc78)cc6c6cc(-c7cccc8c7oc7ccccc78)ccc65)c4)ccc23)cc1.

What is the InChIKey of 3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole?

The InChIKey is JWVNXUFZCFCUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41NO2/c1-3-16-42(17-4-1)65-53-24-7-8-25-54(53)66(43-18-5-2-6-19-43)60-39-45(32-35-55(60)65)44-20-13-21-48(38-44)69-61-36-33-46(49-26-14-28-56-51-22-9-11-30-63(51)70-67(49)56)40-58(61)59-41-47(34-37-62(59)69)50-27-15-29-57-52-23-10-12-31-64(52)71-68(50)57/h1-41H.

What are the key properties of 3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole?

3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole has a molecular weight of 904.08 g/mol, XLogP of 19.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole is sourced from PubChem (CID 87156543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).