6-bromo-1-[6-bromo-2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol

C50H56Br2O2 — CID 134957390

IUPAC6-bromo-1-[6-bromo-2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol
SMILESCC(C)c1cc(C(C)C)c(-c2cc3cc(Br)ccc3c(-c3c(O)c(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cc4cc(Br)ccc34)c2O)c(C(C)C)c1
InChIInChI=1S/C50H56Br2O2/c1-25(2)31-19-39(27(5)6)45(40(20-31)28(7)8)43-23-33-17-35(51)13-15-37(33)47(49(43)53)48-38-16-14-36(52)18-34(38)24-44(50(48)54)46-41(29(9)10)21-32(26(3)4)22-42(46)30(11)12/h13-30,53-54H,1-12H3
InChIKeyXFICTIBQQYTLCU-UHFFFAOYSA-N
MW848.80 g/mol
LogP16.67
Rot. Bonds9

About 6-bromo-1-[6-bromo-2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol

6-bromo-1-[6-bromo-2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol (PubChem CID 134957390) has the molecular formula C50H56Br2O2 and a molecular weight of 848.80 g/mol. Its IUPAC name is 6-bromo-1-[6-bromo-2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1-[6-bromo-2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol
PubChem CID134957390
Molecular FormulaC50H56Br2O2
Molecular Weight848.80 g/mol
Exact Mass846.26
IUPAC Name6-bromo-1-[6-bromo-2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol
SMILESCC(C)c1cc(C(C)C)c(-c2cc3cc(Br)ccc3c(-c3c(O)c(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cc4cc(Br)ccc34)c2O)c(C(C)C)c1
InChIInChI=1S/C50H56Br2O2/c1-25(2)31-19-39(27(5)6)45(40(20-31)28(7)8)43-23-33-17-35(51)13-15-37(33)47(49(43)53)48-38-16-14-36(52)18-34(38)24-44(50(48)54)46-41(29(9)10)21-32(26(3)4)22-42(46)30(11)12/h13-30,53-54H,1-12H3
InChIKeyXFICTIBQQYTLCU-UHFFFAOYSA-N
XLogP16.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.80
LogP ≤ 516.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-bromo-1-[6-bromo-2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[6-bromo-2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol?
The IUPAC name of 6-bromo-1-[6-bromo-2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol (CID 134957390) is 6-bromo-1-[6-bromo-2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol.
What is the SMILES notation for 6-bromo-1-[6-bromo-2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol?
The canonical SMILES for 6-bromo-1-[6-bromo-2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol is CC(C)c1cc(C(C)C)c(-c2cc3cc(Br)ccc3c(-c3c(O)c(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cc4cc(Br)ccc34)c2O)c(C(C)C)c1.
What is the InChIKey of 6-bromo-1-[6-bromo-2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol?
The InChIKey is XFICTIBQQYTLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H56Br2O2/c1-25(2)31-19-39(27(5)6)45(40(20-31)28(7)8)43-23-33-17-35(51)13-15-37(33)47(49(43)53)48-38-16-14-36(52)18-34(38)24-44(50(48)54)46-41(29(9)10)21-32(26(3)4)22-42(46)30(11)12/h13-30,53-54H,1-12H3.
What are the key properties of 6-bromo-1-[6-bromo-2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol?
6-bromo-1-[6-bromo-2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol has a molecular weight of 848.80 g/mol, XLogP of 16.67, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[6-bromo-2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]naphthalen-2-ol is sourced from PubChem (CID 134957390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).