2-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-1-ol

C35H26N2O2 — CID 155610007

IUPAC2-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-1-ol
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4ccccc4c(/C=N/c4cccc5cccc(O)c45)n3)c(O)c21
InChIInChI=1S/C35H26N2O2/c1-35(2)27-14-6-5-13-24(27)25-17-18-26(34(39)33(25)35)29-19-22-9-3-4-12-23(22)30(37-29)20-36-28-15-7-10-21-11-8-16-31(38)32(21)28/h3-20,38-39H,1-2H3/b36-20+
InChIKeyVLCQBHNZVCYJHQ-ZSNJKBEMSA-N
MW506.61 g/mol
LogP8.52
Rot. Bonds3

About 2-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-1-ol

2-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-1-ol (PubChem CID 155610007) has the molecular formula C35H26N2O2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 2-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-1-ol.

Molecular Properties

Compound Name2-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-1-ol
PubChem CID155610007
Molecular FormulaC35H26N2O2
Molecular Weight506.61 g/mol
Exact Mass506.20
IUPAC Name2-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-1-ol
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4ccccc4c(/C=N/c4cccc5cccc(O)c45)n3)c(O)c21
InChIInChI=1S/C35H26N2O2/c1-35(2)27-14-6-5-13-24(27)25-17-18-26(34(39)33(25)35)29-19-22-9-3-4-12-23(22)30(37-29)20-36-28-15-7-10-21-11-8-16-31(38)32(21)28/h3-20,38-39H,1-2H3/b36-20+
InChIKeyVLCQBHNZVCYJHQ-ZSNJKBEMSA-N
XLogP8.52
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 58.52
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

4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]pyridin-3-ol;platinum
CID 155610131
2-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum
CID 155610138
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
1-[6-[(8-hydroxynaphthalen-1-yl)iminomethyl]-2-pyridinyl]-9,9'-spirobi[fluorene]-2-ol
CID 155610050
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465661
5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282310
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
6,6,12,12-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene
CID 59390161
8,8-dimethylhexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-1(25),2,4,6,9,11,13,15,17,19,21,23-dodecaene
CID 123897654
7,7-dimethyl-4-(5-pyren-1-ylnaphthalen-1-yl)benzo[a]phenalene
CID 171045760
6-bromo-11,11-dimethylbenzo[a]fluorene
CID 155318624

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-1-ol?
The IUPAC name of 2-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-1-ol (CID 155610007) is 2-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-1-ol.
What is the SMILES notation for 2-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-1-ol?
The canonical SMILES for 2-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-1-ol is CC1(C)c2ccccc2-c2ccc(-c3cc4ccccc4c(/C=N/c4cccc5cccc(O)c45)n3)c(O)c21.
What is the InChIKey of 2-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-1-ol?
The InChIKey is VLCQBHNZVCYJHQ-ZSNJKBEMSA-N. The full InChI is InChI=1S/C35H26N2O2/c1-35(2)27-14-6-5-13-24(27)25-17-18-26(34(39)33(25)35)29-19-22-9-3-4-12-23(22)30(37-29)20-36-28-15-7-10-21-11-8-16-31(38)32(21)28/h3-20,38-39H,1-2H3/b36-20+.
What are the key properties of 2-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-1-ol?
2-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-1-ol has a molecular weight of 506.61 g/mol, XLogP of 8.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9,9-dimethylfluoren-1-ol is sourced from PubChem (CID 155610007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).