1-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline

C55H34N4O — CID 162455078

About 1-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline

1-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline (PubChem CID 162455078) has the molecular formula C55H34N4O and a molecular weight of 766.90 g/mol. Its IUPAC name is 1-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

• Compound Name: 1-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
• PubChem CID: 162455078
• Molecular Formula: C55H34N4O
• Molecular Weight: 766.90 g/mol
• Exact Mass: 766.27
• IUPAC Name: 1-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
• SMILES: c1ccc(-c2cc(-c3ccc(-c4cccc5nc(-c6ccccc6)c6oc7ccccc7c6c45)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C55H34N4O/c1-3-15-36(16-4-1)46-34-47(58-55(57-46)39-19-13-20-40(33-39)59-48-26-10-7-21-42(48)43-22-8-11-27-49(43)59)37-31-29-35(30-32-37)41-24-14-25-45-51(41)52-44-23-9-12-28-50(44)60-54(52)53(56-45)38-17-5-2-6-18-38/h1-34H
• InChIKey: ZEDJKOXRWHUGCI-UHFFFAOYSA-N
• XLogP: 14.36
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.90
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline?

The IUPAC name of 1-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline (CID 162455078) is 1-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline.

What is the SMILES notation for 1-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline?

The canonical SMILES for 1-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline is c1ccc(-c2cc(-c3ccc(-c4cccc5nc(-c6ccccc6)c6oc7ccccc7c6c45)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.

What is the InChIKey of 1-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline?

The InChIKey is ZEDJKOXRWHUGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O/c1-3-15-36(16-4-1)46-34-47(58-55(57-46)39-19-13-20-40(33-39)59-48-26-10-7-21-42(48)43-22-8-11-27-49(43)59)37-31-29-35(30-32-37)41-24-14-25-45-51(41)52-44-23-9-12-28-50(44)60-54(52)53(56-45)38-17-5-2-6-18-38/h1-34H.

What are the key properties of 1-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline?

1-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline has a molecular weight of 766.90 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 162455078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).