6-[5-(2,3,4,5,6-pentahydroxyphenyl)-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazol-2-yl]benzene-1,2,3,4,5-pentol

C57H36N4O11 — CID 174170075

About 6-[5-(2,3,4,5,6-pentahydroxyphenyl)-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazol-2-yl]benzene-1,2,3,4,5-pentol

6-[5-(2,3,4,5,6-pentahydroxyphenyl)-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazol-2-yl]benzene-1,2,3,4,5-pentol (PubChem CID 174170075) has the molecular formula C57H36N4O11 and a molecular weight of 952.93 g/mol. Its IUPAC name is 6-[5-(2,3,4,5,6-pentahydroxyphenyl)-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazol-2-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

• Compound Name: 6-[5-(2,3,4,5,6-pentahydroxyphenyl)-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazol-2-yl]benzene-1,2,3,4,5-pentol
• PubChem CID: 174170075
• Molecular Formula: C57H36N4O11
• Molecular Weight: 952.93 g/mol
• Exact Mass: 952.24
• IUPAC Name: 6-[5-(2,3,4,5,6-pentahydroxyphenyl)-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazol-2-yl]benzene-1,2,3,4,5-pentol
• SMILES: Oc1c(O)c(O)c(-c2ccc3c4c(-c5c(O)c(O)c(O)c(O)c5O)cccc4n(-c4cccc5c4oc4cc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)ccc45)c3c2)c(O)c1O
• InChI: InChI=1S/C57H36N4O11/c62-44-41(45(63)49(67)52(70)48(44)66)30-20-23-35-39(25-30)61(37-18-9-17-36(42(35)37)43-46(64)50(68)53(71)51(69)47(43)65)38-19-8-16-34-33-22-21-32(26-40(33)72-54(34)38)57-59-55(28-12-5-2-6-13-28)58-56(60-57)31-15-7-14-29(24-31)27-10-3-1-4-11-27/h1-26,62-71H
• InChIKey: NOAKUTVQJVUVRJ-UHFFFAOYSA-N
• XLogP: 11.93
• TPSA: 259.04 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	952.93
LogP ≤ 5	11.93
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2,3,4,5,6-pentahydroxyphenyl)-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazol-2-yl]benzene-1,2,3,4,5-pentol?

The IUPAC name of 6-[5-(2,3,4,5,6-pentahydroxyphenyl)-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazol-2-yl]benzene-1,2,3,4,5-pentol (CID 174170075) is 6-[5-(2,3,4,5,6-pentahydroxyphenyl)-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazol-2-yl]benzene-1,2,3,4,5-pentol.

What is the SMILES notation for 6-[5-(2,3,4,5,6-pentahydroxyphenyl)-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazol-2-yl]benzene-1,2,3,4,5-pentol?

The canonical SMILES for 6-[5-(2,3,4,5,6-pentahydroxyphenyl)-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazol-2-yl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-c2ccc3c4c(-c5c(O)c(O)c(O)c(O)c5O)cccc4n(-c4cccc5c4oc4cc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)ccc45)c3c2)c(O)c1O.

What is the InChIKey of 6-[5-(2,3,4,5,6-pentahydroxyphenyl)-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazol-2-yl]benzene-1,2,3,4,5-pentol?

The InChIKey is NOAKUTVQJVUVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O11/c62-44-41(45(63)49(67)52(70)48(44)66)30-20-23-35-39(25-30)61(37-18-9-17-36(42(35)37)43-46(64)50(68)53(71)51(69)47(43)65)38-19-8-16-34-33-22-21-32(26-40(33)72-54(34)38)57-59-55(28-12-5-2-6-13-28)58-56(60-57)31-15-7-14-29(24-31)27-10-3-1-4-11-27/h1-26,62-71H.

What are the key properties of 6-[5-(2,3,4,5,6-pentahydroxyphenyl)-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazol-2-yl]benzene-1,2,3,4,5-pentol?

6-[5-(2,3,4,5,6-pentahydroxyphenyl)-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazol-2-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 952.93 g/mol, XLogP of 11.93, 7 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(2,3,4,5,6-pentahydroxyphenyl)-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazol-2-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 174170075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).