9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole

C66H41N3O2 — CID 87415451

About 9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole

9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole (PubChem CID 87415451) has the molecular formula C66H41N3O2 and a molecular weight of 908.07 g/mol. Its IUPAC name is 9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole
• PubChem CID: 87415451
• Molecular Formula: C66H41N3O2
• Molecular Weight: 908.07 g/mol
• Exact Mass: 907.32
• IUPAC Name: 9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole
• SMILES: C1=CC2Oc3ccc(-c4cc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc(-n5c6ccccc6c6ccccc65)c4)cc3C2C=C1n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C66H41N3O2/c1-7-19-57-47(13-1)48-14-2-8-20-58(48)67(57)44-27-31-65-55(38-44)53-36-40(25-29-63(53)70-65)42-33-43(35-46(34-42)69-61-23-11-5-17-51(61)52-18-6-12-24-62(52)69)41-26-30-64-54(37-41)56-39-45(28-32-66(56)71-64)68-59-21-9-3-15-49(59)50-16-4-10-22-60(50)68/h1-39,55,65H
• InChIKey: AVCKEYBLQAQKQQ-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 37.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.07
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole?

The IUPAC name of 9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole (CID 87415451) is 9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole.

What is the SMILES notation for 9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole?

The canonical SMILES for 9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole is C1=CC2Oc3ccc(-c4cc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc(-n5c6ccccc6c6ccccc65)c4)cc3C2C=C1n1c2ccccc2c2ccccc21.

What is the InChIKey of 9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole?

The InChIKey is AVCKEYBLQAQKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N3O2/c1-7-19-57-47(13-1)48-14-2-8-20-58(48)67(57)44-27-31-65-55(38-44)53-36-40(25-29-63(53)70-65)42-33-43(35-46(34-42)69-61-23-11-5-17-51(61)52-18-6-12-24-62(52)69)41-26-30-64-54(37-41)56-39-45(28-32-66(56)71-64)68-59-21-9-3-15-49(59)50-16-4-10-22-60(50)68/h1-39,55,65H.

What are the key properties of 9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole?

9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole has a molecular weight of 908.07 g/mol, XLogP of 17.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole is sourced from PubChem (CID 87415451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).