1-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-2-ol

C41H26N2O2 — CID 155610050

IUPAC1-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-2-ol
SMILESOc1ccc2c(c1-c1cccc(/C=N/c3cccc4cccc(O)c34)n1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C41H26N2O2/c44-36-21-8-11-25-10-7-19-34(38(25)36)42-24-26-12-9-20-35(43-26)39-37(45)23-22-30-29-15-3-6-18-33(29)41(40(30)39)31-16-4-1-13-27(31)28-14-2-5-17-32(28)41/h1-24,44-45H/b42-24+
InChIKeyRSVUOBRSYXQXIJ-HAPYPFFUSA-N
MW578.67 g/mol
LogP9.41
Rot. Bonds3

About 1-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-2-ol

1-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-2-ol (PubChem CID 155610050) has the molecular formula C41H26N2O2 and a molecular weight of 578.67 g/mol. Its IUPAC name is 1-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-2-ol.

Molecular Properties

Compound Name1-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-2-ol
PubChem CID155610050
Molecular FormulaC41H26N2O2
Molecular Weight578.67 g/mol
Exact Mass578.20
IUPAC Name1-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-2-ol
SMILESOc1ccc2c(c1-c1cccc(/C=N/c3cccc4cccc(O)c34)n1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C41H26N2O2/c44-36-21-8-11-25-10-7-19-34(38(25)36)42-24-26-12-9-20-35(43-26)39-37(45)23-22-30-29-15-3-6-18-33(29)41(40(30)39)31-16-4-1-13-27(31)28-14-2-5-17-32(28)41/h1-24,44-45H/b42-24+
InChIKeyRSVUOBRSYXQXIJ-HAPYPFFUSA-N
XLogP9.41
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.67
LogP ≤ 59.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum
CID 155610138
9-[[6-(2-hydroxyphenyl)-2-pyridinyl]methylideneamino]-4H-phenalen-1-ol
CID 155609964
2-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-1-ol
CID 155610007
9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;3-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-4-ol;3-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9-phenylcarbazol-4-ol;1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]-9,9'-spirobi[fluorene]-2-ol;3-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9'-spirobi[fluorene]-4-ol;3-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9-dimethylfluoren-4-ol;3-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9-phenylcarbazol-4-ol;3-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-4-ol;platinum
CID 157282278
CID 102532137
CID 102532137
8-[[6-[2-hydroxy-4-(2,4,6-trimethylphenyl)phenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum
CID 155609993
CID 137211940
CID 137211940
CID 129022934
CID 129022934
2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
CID 139891134
nonacyclo[12.12.9.127,31.01,14.02,7.08,13.015,20.021,26.035,36]hexatriaconta-2,4,6,8,10,12,15,17,19,21,23,25,27,29,31(36),32,34-heptadecaene
CID 101134797
4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum
CID 155610131
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-2-ol?
The IUPAC name of 1-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-2-ol (CID 155610050) is 1-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-2-ol.
What is the SMILES notation for 1-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-2-ol?
The canonical SMILES for 1-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-2-ol is Oc1ccc2c(c1-c1cccc(/C=N/c3cccc4cccc(O)c34)n1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 1-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-2-ol?
The InChIKey is RSVUOBRSYXQXIJ-HAPYPFFUSA-N. The full InChI is InChI=1S/C41H26N2O2/c44-36-21-8-11-25-10-7-19-34(38(25)36)42-24-26-12-9-20-35(43-26)39-37(45)23-22-30-29-15-3-6-18-33(29)41(40(30)39)31-16-4-1-13-27(31)28-14-2-5-17-32(28)41/h1-24,44-45H/b42-24+.
What are the key properties of 1-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-2-ol?
1-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-2-ol has a molecular weight of 578.67 g/mol, XLogP of 9.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-2-ol is sourced from PubChem (CID 155610050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).