3-dibenzofuran-2-yl-9-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;(3Z)-penta-1,3-diene

C53H39NO — CID 144644629

About 3-dibenzofuran-2-yl-9-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;(3Z)-penta-1,3-diene

3-dibenzofuran-2-yl-9-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;(3Z)-penta-1,3-diene (PubChem CID 144644629) has the molecular formula C53H39NO and a molecular weight of 705.90 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;(3Z)-penta-1,3-diene.

Molecular Properties

• Compound Name: 3-dibenzofuran-2-yl-9-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;(3Z)-penta-1,3-diene
• PubChem CID: 144644629
• Molecular Formula: C53H39NO
• Molecular Weight: 705.90 g/mol
• Exact Mass: 705.30
• IUPAC Name: 3-dibenzofuran-2-yl-9-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;(3Z)-penta-1,3-diene
• SMILES: C=C/C=C\C.c1ccc(-c2cccc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)cc4)c3)c2)cc1
• InChI: InChI=1S/C48H31NO.C5H8/c1-2-10-32(11-3-1)34-12-8-14-36(28-34)37-15-9-13-35(29-37)33-20-24-40(25-21-33)49-45-18-6-4-16-41(45)43-30-38(22-26-46(43)49)39-23-27-48-44(31-39)42-17-5-7-19-47(42)50-48;1-3-5-4-2/h1-31H;3-5H,1H2,2H3/b;5-4-
• InChIKey: FTFJTTIAKWPVAM-GUHKXDMSSA-N
• XLogP: 15.10
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.90
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;(3Z)-penta-1,3-diene?

The IUPAC name of 3-dibenzofuran-2-yl-9-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;(3Z)-penta-1,3-diene (CID 144644629) is 3-dibenzofuran-2-yl-9-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;(3Z)-penta-1,3-diene.

What is the SMILES notation for 3-dibenzofuran-2-yl-9-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;(3Z)-penta-1,3-diene?

The canonical SMILES for 3-dibenzofuran-2-yl-9-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;(3Z)-penta-1,3-diene is C=C/C=C\C.c1ccc(-c2cccc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)cc4)c3)c2)cc1.

What is the InChIKey of 3-dibenzofuran-2-yl-9-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;(3Z)-penta-1,3-diene?

The InChIKey is FTFJTTIAKWPVAM-GUHKXDMSSA-N. The full InChI is InChI=1S/C48H31NO.C5H8/c1-2-10-32(11-3-1)34-12-8-14-36(28-34)37-15-9-13-35(29-37)33-20-24-40(25-21-33)49-45-18-6-4-16-41(45)43-30-38(22-26-46(43)49)39-23-27-48-44(31-39)42-17-5-7-19-47(42)50-48;1-3-5-4-2/h1-31H;3-5H,1H2,2H3/b;5-4-.

What are the key properties of 3-dibenzofuran-2-yl-9-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;(3Z)-penta-1,3-diene?

3-dibenzofuran-2-yl-9-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;(3Z)-penta-1,3-diene has a molecular weight of 705.90 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzofuran-2-yl-9-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;(3Z)-penta-1,3-diene is sourced from PubChem (CID 144644629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).