9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;platinum

C34H25N3O2Pt — CID 155610036

IUPAC9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;platinum
SMILESCCn1c2ccccc2c2ccc(O)c(-c3nc(/C=N/c4cccc5cccc(O)c45)cc4ccccc34)c21.[Pt]
InChIInChI=1S/C34H25N3O2.Pt/c1-2-37-28-15-6-5-13-25(28)26-17-18-30(39)32(34(26)37)33-24-12-4-3-9-22(24)19-23(36-33)20-35-27-14-7-10-21-11-8-16-29(38)31(21)27;/h3-20,38-39H,2H2,1H3;/b35-20+;
InChIKeyMLHNCIHEDBNGOP-QXIZRKEWSA-N
MW702.67 g/mol
LogP8.34
Rot. Bonds4

About 9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;platinum

9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;platinum (PubChem CID 155610036) has the molecular formula C34H25N3O2Pt and a molecular weight of 702.67 g/mol. Its IUPAC name is 9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;platinum.

Molecular Properties

Compound Name9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;platinum
PubChem CID155610036
Molecular FormulaC34H25N3O2Pt
Molecular Weight702.67 g/mol
Exact Mass702.16
IUPAC Name9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;platinum
SMILESCCn1c2ccccc2c2ccc(O)c(-c3nc(/C=N/c4cccc5cccc(O)c45)cc4ccccc34)c21.[Pt]
InChIInChI=1S/C34H25N3O2.Pt/c1-2-37-28-15-6-5-13-25(28)26-17-18-30(39)32(34(26)37)33-24-12-4-3-9-22(24)19-23(36-33)20-35-27-14-7-10-21-11-8-16-29(38)31(21)27;/h3-20,38-39H,2H2,1H3;/b35-20+;
InChIKeyMLHNCIHEDBNGOP-QXIZRKEWSA-N
XLogP8.34
TPSA70.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.67
LogP ≤ 58.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;platinum with MolForge

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Related Compounds

6-Butyl-3,9-dihydroxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbonitrile
CID 10711636
12-(Benzyliminomethyl)-6-butyl-5,6-dihydroindolo[2,1-a]isoquinoline-3,9-diol
CID 135528785
(1R,12S,19S)-12-ethyl-6-[(15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,8-tetraen-3-ol
CID 134153515
Isohalitulin
CID 135929543
5-Quinolinol, 8-(9,10-dihydro-10-methyl-9-acridinyl)-
CID 135704078
11-Ethyl-5,6-dihydrobenzo[a]carbazole-2,9-diol
CID 13583449
11-Ethyl-5,6-dihydrobenzo[a]carbazole-3,9-diol
CID 13583450
11-Ethylbenzo[a]carbazole-2,9-diol
CID 13583473
11-Ethylbenzo[a]carbazole-3,9-diol
CID 13583474
11-Ethylbenzo[a]carbazol-3-ol
CID 13583476
11-Ethyl-5,6-dihydrobenzo[a]carbazole-4,9-diol
CID 44350157
11-Butyl-5,6-dihydrobenzo[a]carbazole-3,9-diol
CID 44350265

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;platinum?
The IUPAC name of 9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;platinum (CID 155610036) is 9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;platinum.
What is the SMILES notation for 9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;platinum?
The canonical SMILES for 9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;platinum is CCn1c2ccccc2c2ccc(O)c(-c3nc(/C=N/c4cccc5cccc(O)c45)cc4ccccc34)c21.[Pt].
What is the InChIKey of 9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;platinum?
The InChIKey is MLHNCIHEDBNGOP-QXIZRKEWSA-N. The full InChI is InChI=1S/C34H25N3O2.Pt/c1-2-37-28-15-6-5-13-25(28)26-17-18-30(39)32(34(26)37)33-24-12-4-3-9-22(24)19-23(36-33)20-35-27-14-7-10-21-11-8-16-29(38)31(21)27;/h3-20,38-39H,2H2,1H3;/b35-20+;.
What are the key properties of 9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;platinum?
9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;platinum has a molecular weight of 702.67 g/mol, XLogP of 8.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-1-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]carbazol-2-ol;platinum is sourced from PubChem (CID 155610036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).