6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol

C36H24O10 — CID 144837195

About 6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol

6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol (PubChem CID 144837195) has the molecular formula C36H24O10 and a molecular weight of 616.58 g/mol. Its IUPAC name is 6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

• Compound Name: 6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol
• PubChem CID: 144837195
• Molecular Formula: C36H24O10
• Molecular Weight: 616.58 g/mol
• Exact Mass: 616.14
• IUPAC Name: 6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol
• SMILES: Oc1c(O)c(O)c(-c2cccc3ccc(-c4c5ccccc5c(-c5c(O)c(O)c(O)c(O)c5O)c5ccccc45)cc23)c(O)c1O
• InChI: InChI=1S/C36H24O10/c37-27-25(28(38)32(42)35(45)31(27)41)21-11-5-6-15-12-13-16(14-22(15)21)23-17-7-1-3-9-19(17)24(20-10-4-2-8-18(20)23)26-29(39)33(43)36(46)34(44)30(26)40/h1-14,37-46H
• InChIKey: XTZGRMLDVKKQPE-UHFFFAOYSA-N
• XLogP: 7.20
• TPSA: 202.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	616.58
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol?

The IUPAC name of 6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol (CID 144837195) is 6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol.

What is the SMILES notation for 6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol?

The canonical SMILES for 6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-c2cccc3ccc(-c4c5ccccc5c(-c5c(O)c(O)c(O)c(O)c5O)c5ccccc45)cc23)c(O)c1O.

What is the InChIKey of 6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol?

The InChIKey is XTZGRMLDVKKQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24O10/c37-27-25(28(38)32(42)35(45)31(27)41)21-11-5-6-15-12-13-16(14-22(15)21)23-17-7-1-3-9-19(17)24(20-10-4-2-8-18(20)23)26-29(39)33(43)36(46)34(44)30(26)40/h1-14,37-46H.

What are the key properties of 6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol?

6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 616.58 g/mol, XLogP of 7.20, 3 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 144837195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).