7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole

C₈₈H₅₄N₁₀O₂ — CID 161059096

About 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole

7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole (PubChem CID 161059096) has the molecular formula C₈₈H₅₄N₁₀O₂ and a molecular weight of 1283.47 g/mol. Its IUPAC name is 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole.

Molecular Properties

• Compound Name: 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
• PubChem CID: 161059096
• Molecular Formula: C₈₈H₅₄N₁₀O₂
• Molecular Weight: 1283.47 g/mol
• Exact Mass: 1282.44
• IUPAC Name: 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
• SMILES: c1cc(-c2ccc3nc4occn4c3c2)cc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c1.c1cc(-c2ccnc(-c3ccc4nc5occn5c4c3)c2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
• InChI: InChI=1S/2C44H27N5O/c1-4-15-38-32(11-1)33-12-2-5-16-39(33)48(38)31-20-22-41-35(27-31)34-13-3-6-17-40(34)49(41)43-18-8-14-36(45-43)30-10-7-9-28(25-30)29-19-21-37-42(26-29)47-23-24-50-44(47)46-37;1-4-13-39-33(10-1)34-11-2-5-14-40(34)49(39)32-17-19-42-36(27-32)35-12-3-6-15-41(35)48(42)31-9-7-8-28(24-31)29-20-21-45-38(25-29)30-16-18-37-43(26-30)47-22-23-50-44(47)46-37/h2*1-27H
• InChIKey: UDDSCDBRFHOMEE-UHFFFAOYSA-N
• XLogP: 22.01
• TPSA: 106.38 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1283.47
LogP ≤ 5	22.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?

The IUPAC name of 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole (CID 161059096) is 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole.

What is the SMILES notation for 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?

The canonical SMILES for 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole is c1cc(-c2ccc3nc4occn4c3c2)cc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c1.c1cc(-c2ccnc(-c3ccc4nc5occn5c4c3)c2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.

What is the InChIKey of 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?

The InChIKey is UDDSCDBRFHOMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H27N5O/c1-4-15-38-32(11-1)33-12-2-5-16-39(33)48(38)31-20-22-41-35(27-31)34-13-3-6-17-40(34)49(41)43-18-8-14-36(45-43)30-10-7-9-28(25-30)29-19-21-37-42(26-29)47-23-24-50-44(47)46-37;1-4-13-39-33(10-1)34-11-2-5-14-40(34)49(39)32-17-19-42-36(27-32)35-12-3-6-15-41(35)48(42)31-9-7-8-28(24-31)29-20-21-45-38(25-29)30-16-18-37-43(26-30)47-22-23-50-44(47)46-37/h2*1-27H.

What are the key properties of 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?

7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole has a molecular weight of 1283.47 g/mol, XLogP of 22.01, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole is sourced from PubChem (CID 161059096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161059096 — identifiers, structure, computed properties (public domain)

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