3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol

C32H36N2O2 — CID 177478383

IUPAC3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol
SMILESOc1cc2ccccc2cc1/C=N/CCCCCCCCCC/N=C/c1cc2ccccc2cc1O
InChIInChI=1S/C32H36N2O2/c35-31-21-27-15-9-7-13-25(27)19-29(31)23-33-17-11-5-3-1-2-4-6-12-18-34-24-30-20-26-14-8-10-16-28(26)22-32(30)36/h7-10,13-16,19-24,35-36H,1-6,11-12,17-18H2/b33-23+,34-24+
InChIKeyBPIMECLJRPEOTH-IENBMRAWSA-N
MW480.65 g/mol
LogP8.06
Rot. Bonds13

About 3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol

3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol (PubChem CID 177478383) has the molecular formula C32H36N2O2 and a molecular weight of 480.65 g/mol. Its IUPAC name is 3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol
PubChem CID177478383
Molecular FormulaC32H36N2O2
Molecular Weight480.65 g/mol
Exact Mass480.28
IUPAC Name3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol
SMILESOc1cc2ccccc2cc1/C=N/CCCCCCCCCC/N=C/c1cc2ccccc2cc1O
InChIInChI=1S/C32H36N2O2/c35-31-21-27-15-9-7-13-25(27)19-29(31)23-33-17-11-5-3-1-2-4-6-12-18-34-24-30-20-26-14-8-10-16-28(26)22-32(30)36/h7-10,13-16,19-24,35-36H,1-6,11-12,17-18H2/b33-23+,34-24+
InChIKeyBPIMECLJRPEOTH-IENBMRAWSA-N
XLogP8.06
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 58.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-methanehydrazonoylnaphthalen-2-ol
CID 915671
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol
CID 136618032
(2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol
CID 135823139
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol
CID 136759942
4-(octadecyliminomethyl)benzene-1,3-diol
CID 135714970
3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol
CID 136773252
dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 135852922
2-(octyliminomethyl)pyren-1-ol
CID 136703636
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033

Frequently Asked Questions

What is the IUPAC name of 3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol?
The IUPAC name of 3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol (CID 177478383) is 3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol.
What is the SMILES notation for 3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol?
The canonical SMILES for 3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol is Oc1cc2ccccc2cc1/C=N/CCCCCCCCCC/N=C/c1cc2ccccc2cc1O.
What is the InChIKey of 3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol?
The InChIKey is BPIMECLJRPEOTH-IENBMRAWSA-N. The full InChI is InChI=1S/C32H36N2O2/c35-31-21-27-15-9-7-13-25(27)19-29(31)23-33-17-11-5-3-1-2-4-6-12-18-34-24-30-20-26-14-8-10-16-28(26)22-32(30)36/h7-10,13-16,19-24,35-36H,1-6,11-12,17-18H2/b33-23+,34-24+.
What are the key properties of 3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol?
3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol has a molecular weight of 480.65 g/mol, XLogP of 8.06, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol is sourced from PubChem (CID 177478383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).