6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol

C42H26Br4O5 — CID 101427403

About 6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol

6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 101427403) has the molecular formula C42H26Br4O5 and a molecular weight of 930.28 g/mol. Its IUPAC name is 6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

• Compound Name: 6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
• PubChem CID: 101427403
• Molecular Formula: C42H26Br4O5
• Molecular Weight: 930.28 g/mol
• Exact Mass: 925.85
• IUPAC Name: 6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
• SMILES: Oc1ccc2cc(Br)ccc2c1-c1c(O)c(COCc2cc3cc(Br)ccc3c(-c3c(O)ccc4cc(Br)ccc34)c2O)cc2cc(Br)ccc12
• InChI: InChI=1S/C42H26Br4O5/c43-27-3-7-31-21(15-27)1-11-35(47)37(31)39-33-9-5-29(45)17-23(33)13-25(41(39)49)19-51-20-26-14-24-18-30(46)6-10-34(24)40(42(26)50)38-32-8-4-28(44)16-22(32)2-12-36(38)48/h1-18,47-50H,19-20H2
• InChIKey: DHUJTUBVURYPOD-UHFFFAOYSA-N
• XLogP: 13.22
• TPSA: 90.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.28
LogP ≤ 5	13.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?

The IUPAC name of 6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 101427403) is 6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

What is the SMILES notation for 6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?

The canonical SMILES for 6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol is Oc1ccc2cc(Br)ccc2c1-c1c(O)c(COCc2cc3cc(Br)ccc3c(-c3c(O)ccc4cc(Br)ccc34)c2O)cc2cc(Br)ccc12.

What is the InChIKey of 6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?

The InChIKey is DHUJTUBVURYPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26Br4O5/c43-27-3-7-31-21(15-27)1-11-35(47)37(31)39-33-9-5-29(45)17-23(33)13-25(41(39)49)19-51-20-26-14-24-18-30(46)6-10-34(24)40(42(26)50)38-32-8-4-28(44)16-22(32)2-12-36(38)48/h1-18,47-50H,19-20H2.

What are the key properties of 6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?

6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 930.28 g/mol, XLogP of 13.22, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 101427403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).