9-[8-[4-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-6,7-dihydrodibenzofuran-2-yl]carbazole

C54H34N2O2 — CID 149288215

About 9-[8-[4-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-6,7-dihydrodibenzofuran-2-yl]carbazole

9-[8-[4-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-6,7-dihydrodibenzofuran-2-yl]carbazole (PubChem CID 149288215) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is 9-[8-[4-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-6,7-dihydrodibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[8-[4-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-6,7-dihydrodibenzofuran-2-yl]carbazole
• PubChem CID: 149288215
• Molecular Formula: C54H34N2O2
• Molecular Weight: 742.88 g/mol
• Exact Mass: 742.26
• IUPAC Name: 9-[8-[4-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-6,7-dihydrodibenzofuran-2-yl]carbazole
• SMILES: C1=C(c2ccc(-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc2)CCc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c21
• InChI: InChI=1S/C54H34N2O2/c1-5-13-47-39(9-1)40-10-2-6-14-48(40)55(47)37-23-27-53-45(31-37)43-29-35(21-25-51(43)57-53)33-17-19-34(20-18-33)36-22-26-52-44(30-36)46-32-38(24-28-54(46)58-52)56-49-15-7-3-11-41(49)42-12-4-8-16-50(42)56/h1-21,23-25,27-32H,22,26H2
• InChIKey: XUICGMCCUOUBII-UHFFFAOYSA-N
• XLogP: 14.68
• TPSA: 36.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.88
LogP ≤ 5	14.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[8-[4-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-6,7-dihydrodibenzofuran-2-yl]carbazole?

The IUPAC name of 9-[8-[4-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-6,7-dihydrodibenzofuran-2-yl]carbazole (CID 149288215) is 9-[8-[4-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-6,7-dihydrodibenzofuran-2-yl]carbazole.

What is the SMILES notation for 9-[8-[4-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-6,7-dihydrodibenzofuran-2-yl]carbazole?

The canonical SMILES for 9-[8-[4-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-6,7-dihydrodibenzofuran-2-yl]carbazole is C1=C(c2ccc(-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc2)CCc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c21.

What is the InChIKey of 9-[8-[4-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-6,7-dihydrodibenzofuran-2-yl]carbazole?

The InChIKey is XUICGMCCUOUBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-5-13-47-39(9-1)40-10-2-6-14-48(40)55(47)37-23-27-53-45(31-37)43-29-35(21-25-51(43)57-53)33-17-19-34(20-18-33)36-22-26-52-44(30-36)46-32-38(24-28-54(46)58-52)56-49-15-7-3-11-41(49)42-12-4-8-16-50(42)56/h1-21,23-25,27-32H,22,26H2.

What are the key properties of 9-[8-[4-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-6,7-dihydrodibenzofuran-2-yl]carbazole?

9-[8-[4-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-6,7-dihydrodibenzofuran-2-yl]carbazole has a molecular weight of 742.88 g/mol, XLogP of 14.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[8-[4-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-6,7-dihydrodibenzofuran-2-yl]carbazole is sourced from PubChem (CID 149288215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).