6-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]benzene-1,2,3,4,5-pentol

C36H24N2O5 — CID 170361030

About 6-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]benzene-1,2,3,4,5-pentol

6-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]benzene-1,2,3,4,5-pentol (PubChem CID 170361030) has the molecular formula C36H24N2O5 and a molecular weight of 564.60 g/mol. Its IUPAC name is 6-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

• Compound Name: 6-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]benzene-1,2,3,4,5-pentol
• PubChem CID: 170361030
• Molecular Formula: C36H24N2O5
• Molecular Weight: 564.60 g/mol
• Exact Mass: 564.17
• IUPAC Name: 6-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]benzene-1,2,3,4,5-pentol
• SMILES: Oc1c(O)c(O)c(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4cc32)c(O)c1O
• InChI: InChI=1S/C36H24N2O5/c39-32-31(33(40)35(42)36(43)34(32)41)38-28-13-7-5-11-24(28)26-18-25-23-10-4-6-12-27(23)37(29(25)19-30(26)38)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-19,39-43H
• InChIKey: HADFFNJWOBQDIU-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 111.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.60
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

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-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]benzene-1,2,3,4,5-pentol?

The IUPAC name of 6-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]benzene-1,2,3,4,5-pentol (CID 170361030) is 6-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]benzene-1,2,3,4,5-pentol.

What is the SMILES notation for 6-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]benzene-1,2,3,4,5-pentol?

The canonical SMILES for 6-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4cc32)c(O)c1O.

What is the InChIKey of 6-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]benzene-1,2,3,4,5-pentol?

The InChIKey is HADFFNJWOBQDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O5/c39-32-31(33(40)35(42)36(43)34(32)41)38-28-13-7-5-11-24(28)26-18-25-23-10-4-6-12-27(23)37(29(25)19-30(26)38)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-19,39-43H.

What are the key properties of 6-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]benzene-1,2,3,4,5-pentol?

6-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 564.60 g/mol, XLogP of 8.08, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 170361030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).