6-(4-hydroxyphenyl)-5-[[4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol

C36H31NO3 — CID 12020304

IUPAC6-(4-hydroxyphenyl)-5-[[4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol
SMILESOc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCCNc3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C36H31NO3/c38-29-14-11-27(12-15-29)32-19-13-28-24-30(39)16-20-33(28)35(32)23-25-9-17-31(18-10-25)40-22-4-21-37-36-8-3-6-26-5-1-2-7-34(26)36/h1-3,5-20,24,37-39H,4,21-23H2
InChIKeyGRHBTRBOGZNWRL-UHFFFAOYSA-N
MW525.65 g/mol
LogP8.54
Rot. Bonds9

About 6-(4-hydroxyphenyl)-5-[[4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol

6-(4-hydroxyphenyl)-5-[[4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol (PubChem CID 12020304) has the molecular formula C36H31NO3 and a molecular weight of 525.65 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-5-[[4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-5-[[4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol
PubChem CID12020304
Molecular FormulaC36H31NO3
Molecular Weight525.65 g/mol
Exact Mass525.23
IUPAC Name6-(4-hydroxyphenyl)-5-[[4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol
SMILESOc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCCNc3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C36H31NO3/c38-29-14-11-27(12-15-29)32-19-13-28-24-30(39)16-20-33(28)35(32)23-25-9-17-31(18-10-25)40-22-4-21-37-36-8-3-6-26-5-1-2-7-34(26)36/h1-3,5-20,24,37-39H,4,21-23H2
InChIKeyGRHBTRBOGZNWRL-UHFFFAOYSA-N
XLogP8.54
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 58.54
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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Related Compounds

6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol
CID 18676036
6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol
CID 18676010
5-[[4-[2-(dibutylamino)ethoxy]phenyl]methyl]-6-(4-hydroxyphenyl)naphthalen-2-ol;hydrochloride
CID 18675943
6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol
CID 18675935
5-[[4-[4-(3H-azepin-6-yl)butoxy]phenyl]methyl]-6-(4-hydroxyphenyl)naphthalen-2-ol
CID 90953271
5-[[4-[2-(3H-azepin-6-yl)ethoxy]phenyl]methyl]-6-(4-hydroxyphenyl)naphthalen-2-ol
CID 90915728
5-[[4-[4-(3H-azepin-7-yl)butoxy]phenyl]methyl]-6-(4-hydroxyphenyl)naphthalen-2-ol
CID 91488672
6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol
CID 18182697
3-[[4-[[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]methyl]phenyl]methyl]-1-(4-methoxyphenyl)-1-methylurea
CID 18675998
4-[1-[[4-[iodo(tritio)-λ4-sulfanylidene]phosphanyloxyphenyl]methyl]-6-(methoxymethoxy)naphthalen-2-yl]phenol;5-[[4-[iodo(tritio)-λ4-sulfanylidene]phosphanyloxyphenyl]methyl]-6-[4-(methoxymethoxy)phenyl]naphthalen-2-ol
CID 161487682
3-[(6-hydroxynaphthalen-1-yl)amino]propane-1-sulfonic acid
CID 102034605
5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol
CID 57388462

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-5-[[4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol?
The IUPAC name of 6-(4-hydroxyphenyl)-5-[[4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol (CID 12020304) is 6-(4-hydroxyphenyl)-5-[[4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol.
What is the SMILES notation for 6-(4-hydroxyphenyl)-5-[[4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol?
The canonical SMILES for 6-(4-hydroxyphenyl)-5-[[4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol is Oc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCCNc3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 6-(4-hydroxyphenyl)-5-[[4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol?
The InChIKey is GRHBTRBOGZNWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31NO3/c38-29-14-11-27(12-15-29)32-19-13-28-24-30(39)16-20-33(28)35(32)23-25-9-17-31(18-10-25)40-22-4-21-37-36-8-3-6-26-5-1-2-7-34(26)36/h1-3,5-20,24,37-39H,4,21-23H2.
What are the key properties of 6-(4-hydroxyphenyl)-5-[[4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol?
6-(4-hydroxyphenyl)-5-[[4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol has a molecular weight of 525.65 g/mol, XLogP of 8.54, 9 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-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol is sourced from PubChem (CID 12020304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).