9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole

C55H36N2O2 — CID 135258643

About 9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole

9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole (PubChem CID 135258643) has the molecular formula C55H36N2O2 and a molecular weight of 756.90 g/mol. Its IUPAC name is 9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole
• PubChem CID: 135258643
• Molecular Formula: C55H36N2O2
• Molecular Weight: 756.90 g/mol
• Exact Mass: 756.28
• IUPAC Name: 9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole
• SMILES: C=C(/C=C\C=C(/C)c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1)c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
• InChI: InChI=1S/C55H36N2O2/c1-34(36-22-26-52-44(30-36)46-32-38(24-28-54(46)58-52)56-48-18-7-3-14-40(48)41-15-4-8-19-49(41)56)12-11-13-35(2)37-23-27-53-45(31-37)47-33-39(25-29-55(47)59-53)57-50-20-9-5-16-42(50)43-17-6-10-21-51(43)57/h3-33H,1H2,2H3/b12-11-,35-13+
• InChIKey: CULGMWYOWYBEHJ-DEQSAMSQSA-N
• XLogP: 15.35
• TPSA: 36.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.90
LogP ≤ 5	15.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole?

The IUPAC name of 9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole (CID 135258643) is 9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole.

What is the SMILES notation for 9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole?

The canonical SMILES for 9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole is C=C(/C=C\C=C(/C)c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1)c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.

What is the InChIKey of 9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole?

The InChIKey is CULGMWYOWYBEHJ-DEQSAMSQSA-N. The full InChI is InChI=1S/C55H36N2O2/c1-34(36-22-26-52-44(30-36)46-32-38(24-28-54(46)58-52)56-48-18-7-3-14-40(48)41-15-4-8-19-49(41)56)12-11-13-35(2)37-23-27-53-45(31-37)47-33-39(25-29-55(47)59-53)57-50-20-9-5-16-42(50)43-17-6-10-21-51(43)57/h3-33H,1H2,2H3/b12-11-,35-13+.

What are the key properties of 9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole?

9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 756.90 g/mol, XLogP of 15.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 135258643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).