(4-hydroxynaphthalen-1-yl)methylidene-[4-[(4-hydroxynaphthalen-1-yl)methylideneazaniumylidene]butylidene]azanium

C26H22N2O2+2 — CID 91290790

IUPAC(4-hydroxynaphthalen-1-yl)methylidene-[4-[(4-hydroxynaphthalen-1-yl)methylideneazaniumylidene]butylidene]azanium
SMILESOc1ccc(C=[N+]=CCCC=[N+]=Cc2ccc(O)c3ccccc23)c2ccccc12
InChIInChI=1S/C26H20N2O2/c29-25-13-11-19(21-7-1-3-9-23(21)25)17-27-15-5-6-16-28-18-20-12-14-26(30)24-10-4-2-8-22(20)24/h1-4,7-18H,5-6H2/p+2
InChIKeySFAVRBYBVWXYJC-UHFFFAOYSA-P
MW394.47 g/mol
LogP4.00
Rot. Bonds5

About (4-hydroxynaphthalen-1-yl)methylidene-[4-[(4-hydroxynaphthalen-1-yl)methylideneazaniumylidene]butylidene]azanium

(4-hydroxynaphthalen-1-yl)methylidene-[4-[(4-hydroxynaphthalen-1-yl)methylideneazaniumylidene]butylidene]azanium (PubChem CID 91290790) has the molecular formula C26H22N2O2+2 and a molecular weight of 394.47 g/mol. Its IUPAC name is (4-hydroxynaphthalen-1-yl)methylidene-[4-[(4-hydroxynaphthalen-1-yl)methylideneazaniumylidene]butylidene]azanium.

Molecular Properties

Compound Name(4-hydroxynaphthalen-1-yl)methylidene-[4-[(4-hydroxynaphthalen-1-yl)methylideneazaniumylidene]butylidene]azanium
PubChem CID91290790
Molecular FormulaC26H22N2O2+2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name(4-hydroxynaphthalen-1-yl)methylidene-[4-[(4-hydroxynaphthalen-1-yl)methylideneazaniumylidene]butylidene]azanium
SMILESOc1ccc(C=[N+]=CCCC=[N+]=Cc2ccc(O)c3ccccc23)c2ccccc12
InChIInChI=1S/C26H20N2O2/c29-25-13-11-19(21-7-1-3-9-23(21)25)17-27-15-5-6-16-28-18-20-12-14-26(30)24-10-4-2-8-22(20)24/h1-4,7-18H,5-6H2/p+2
InChIKeySFAVRBYBVWXYJC-UHFFFAOYSA-P
XLogP4.00
TPSA68.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-ethenylnaphthalen-1-ol;yttrium
CID 59524551
4-[(E)-2-naphthalen-1-ylethenyl]naphthalen-1-ol
CID 139980470
4-(3-azidoprop-1-enyl)naphthalen-1-ol
CID 169462413
4-[4-(methylamino)but-1-enyl]naphthalen-1-ol
CID 170496452
2-methylpropane;naphthalene-1,4-diol
CID 144756444
3-(4-hydroxynaphthalen-1-yl)propanal
CID 144651527
naphthalene-1,2-diol;naphthalene-1,4-diol
CID 157322625
4-(cyclopropylmethyl)naphthalen-1-ol
CID 70606669
4-bromonaphthalen-1-ol
CID 575609
6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one
CID 175976907
naphthalene;naphthalen-1-ol
CID 174561564
tetrakis(naphthalen-1-ol);titanium
CID 18400436

Frequently Asked Questions

What is the IUPAC name of (4-hydroxynaphthalen-1-yl)methylidene-[4-[(4-hydroxynaphthalen-1-yl)methylideneazaniumylidene]butylidene]azanium?
The IUPAC name of (4-hydroxynaphthalen-1-yl)methylidene-[4-[(4-hydroxynaphthalen-1-yl)methylideneazaniumylidene]butylidene]azanium (CID 91290790) is (4-hydroxynaphthalen-1-yl)methylidene-[4-[(4-hydroxynaphthalen-1-yl)methylideneazaniumylidene]butylidene]azanium.
What is the SMILES notation for (4-hydroxynaphthalen-1-yl)methylidene-[4-[(4-hydroxynaphthalen-1-yl)methylideneazaniumylidene]butylidene]azanium?
The canonical SMILES for (4-hydroxynaphthalen-1-yl)methylidene-[4-[(4-hydroxynaphthalen-1-yl)methylideneazaniumylidene]butylidene]azanium is Oc1ccc(C=[N+]=CCCC=[N+]=Cc2ccc(O)c3ccccc23)c2ccccc12.
What is the InChIKey of (4-hydroxynaphthalen-1-yl)methylidene-[4-[(4-hydroxynaphthalen-1-yl)methylideneazaniumylidene]butylidene]azanium?
The InChIKey is SFAVRBYBVWXYJC-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H20N2O2/c29-25-13-11-19(21-7-1-3-9-23(21)25)17-27-15-5-6-16-28-18-20-12-14-26(30)24-10-4-2-8-22(20)24/h1-4,7-18H,5-6H2/p+2.
What are the key properties of (4-hydroxynaphthalen-1-yl)methylidene-[4-[(4-hydroxynaphthalen-1-yl)methylideneazaniumylidene]butylidene]azanium?
(4-hydroxynaphthalen-1-yl)methylidene-[4-[(4-hydroxynaphthalen-1-yl)methylideneazaniumylidene]butylidene]azanium has a molecular weight of 394.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxynaphthalen-1-yl)methylidene-[4-[(4-hydroxynaphthalen-1-yl)methylideneazaniumylidene]butylidene]azanium is sourced from PubChem (CID 91290790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).