1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol

C35H28O2 — CID 166754778

IUPAC1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol
SMILESCC(C)c1ccc(-c2ccccc2)c(-c2ccc3ccc(O)c(-c4c(O)ccc5ccccc45)c3c2)c1
InChIInChI=1S/C35H28O2/c1-22(2)26-14-17-28(23-8-4-3-5-9-23)30(20-26)27-13-12-25-16-19-33(37)35(31(25)21-27)34-29-11-7-6-10-24(29)15-18-32(34)36/h3-22,36-37H,1-2H3
InChIKeyALYPKFOVIRUSQE-UHFFFAOYSA-N
MW480.61 g/mol
LogP9.53
Rot. Bonds4

About 1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol

1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol (PubChem CID 166754778) has the molecular formula C35H28O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol
PubChem CID166754778
Molecular FormulaC35H28O2
Molecular Weight480.61 g/mol
Exact Mass480.21
IUPAC Name1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol
SMILESCC(C)c1ccc(-c2ccccc2)c(-c2ccc3ccc(O)c(-c4c(O)ccc5ccccc45)c3c2)c1
InChIInChI=1S/C35H28O2/c1-22(2)26-14-17-28(23-8-4-3-5-9-23)30(20-26)27-13-12-25-16-19-33(37)35(31(25)21-27)34-29-11-7-6-10-24(29)15-18-32(34)36/h3-22,36-37H,1-2H3
InChIKeyALYPKFOVIRUSQE-UHFFFAOYSA-N
XLogP9.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 59.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol?
The IUPAC name of 1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol (CID 166754778) is 1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol?
The canonical SMILES for 1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol is CC(C)c1ccc(-c2ccccc2)c(-c2ccc3ccc(O)c(-c4c(O)ccc5ccccc45)c3c2)c1.
What is the InChIKey of 1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol?
The InChIKey is ALYPKFOVIRUSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28O2/c1-22(2)26-14-17-28(23-8-4-3-5-9-23)30(20-26)27-13-12-25-16-19-33(37)35(31(25)21-27)34-29-11-7-6-10-24(29)15-18-32(34)36/h3-22,36-37H,1-2H3.
What are the key properties of 1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol?
1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol has a molecular weight of 480.61 g/mol, XLogP of 9.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol is sourced from PubChem (CID 166754778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).