6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol

C37H33NO3 — CID 18676036

IUPAC6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol
SMILESOc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCCCNc3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C37H33NO3/c39-30-15-12-28(13-16-30)33-20-14-29-25-31(40)17-21-34(29)36(33)24-26-10-18-32(19-11-26)41-23-4-3-22-38-37-9-5-7-27-6-1-2-8-35(27)37/h1-2,5-21,25,38-40H,3-4,22-24H2
InChIKeyKEMFMKAMLLNHCG-UHFFFAOYSA-N
MW539.68 g/mol
LogP8.93
Rot. Bonds10

About 6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol

6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol (PubChem CID 18676036) has the molecular formula C37H33NO3 and a molecular weight of 539.68 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol
PubChem CID18676036
Molecular FormulaC37H33NO3
Molecular Weight539.68 g/mol
Exact Mass539.25
IUPAC Name6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol
SMILESOc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCCCNc3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C37H33NO3/c39-30-15-12-28(13-16-30)33-20-14-29-25-31(40)17-21-34(29)36(33)24-26-10-18-32(19-11-26)41-23-4-3-22-38-37-9-5-7-27-6-1-2-8-35(27)37/h1-2,5-21,25,38-40H,3-4,22-24H2
InChIKeyKEMFMKAMLLNHCG-UHFFFAOYSA-N
XLogP8.93
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 58.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol?
The IUPAC name of 6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol (CID 18676036) is 6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol.
What is the SMILES notation for 6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol?
The canonical SMILES for 6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol is Oc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCCCNc3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol?
The InChIKey is KEMFMKAMLLNHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33NO3/c39-30-15-12-28(13-16-30)33-20-14-29-25-31(40)17-21-34(29)36(33)24-26-10-18-32(19-11-26)41-23-4-3-22-38-37-9-5-7-27-6-1-2-8-35(27)37/h1-2,5-21,25,38-40H,3-4,22-24H2.
What are the key properties of 6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol?
6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol has a molecular weight of 539.68 g/mol, XLogP of 8.93, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol is sourced from PubChem (CID 18676036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).