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

C38H25N3O2Pt — CID 155610020

IUPAC3-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]-9-phenylcarbazol-2-ol;platinum
SMILESOc1cc2c(cc1-c1nc(/C=N/c3cccc4cccc(O)c34)cc3ccccc13)c1ccccc1n2-c1ccccc1.[Pt]
InChIInChI=1S/C38H25N3O2.Pt/c42-35-19-9-12-24-11-8-17-32(37(24)35)39-23-26-20-25-10-4-5-15-28(25)38(40-26)31-21-30-29-16-6-7-18-33(29)41(34(30)22-36(31)43)27-13-2-1-3-14-27;/h1-23,42-43H;/b39-23+;
InChIKeyXQPCNBMYDOWMHG-BMIXYTAESA-N
MW750.72 g/mol
LogP9.31
Rot. Bonds4

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

3-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]-9-phenylcarbazol-2-ol;platinum (PubChem CID 155610020) has the molecular formula C38H25N3O2Pt and a molecular weight of 750.72 g/mol. Its IUPAC name is 3-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]-9-phenylcarbazol-2-ol;platinum.

Molecular Properties

Compound Name3-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]-9-phenylcarbazol-2-ol;platinum
PubChem CID155610020
Molecular FormulaC38H25N3O2Pt
Molecular Weight750.72 g/mol
Exact Mass750.16
IUPAC Name3-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]-9-phenylcarbazol-2-ol;platinum
SMILESOc1cc2c(cc1-c1nc(/C=N/c3cccc4cccc(O)c34)cc3ccccc13)c1ccccc1n2-c1ccccc1.[Pt]
InChIInChI=1S/C38H25N3O2.Pt/c42-35-19-9-12-24-11-8-17-32(37(24)35)39-23-26-20-25-10-4-5-15-28(25)38(40-26)31-21-30-29-16-6-7-18-33(29)41(34(30)22-36(31)43)27-13-2-1-3-14-27;/h1-23,42-43H;/b39-23+;
InChIKeyXQPCNBMYDOWMHG-BMIXYTAESA-N
XLogP9.31
TPSA70.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.72
LogP ≤ 59.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

12-(Benzyliminomethyl)-6-butyl-5,6-dihydroindolo[2,1-a]isoquinoline-3,9-diol
CID 135528785
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-Ethyl-5,6-dihydrobenzo[a]carbazole-4,9-diol
CID 44350157
11-Butyl-5,6-dihydrobenzo[a]carbazole-3,9-diol
CID 44350265
11-Butylbenzo[a]carbazole-3,9-diol
CID 44350416
11-Ethylbenzo[a]carbazole-4,9-diol
CID 44350434
11-Propylbenzo[a]carbazole-3,9-diol
CID 44350439
11H-Benzo[a]carbazole-3,9-diol, 11-methyl-
CID 44350445
11-Propyl-5,6-dihydrobenzo[a]carbazole-3,9-diol
CID 44350446
3-[[(2-Hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-2-ol
CID 46704261

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]-9-phenylcarbazol-2-ol;platinum?
The IUPAC name of 3-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]-9-phenylcarbazol-2-ol;platinum (CID 155610020) is 3-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]-9-phenylcarbazol-2-ol;platinum.
What is the SMILES notation for 3-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]-9-phenylcarbazol-2-ol;platinum?
The canonical SMILES for 3-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]-9-phenylcarbazol-2-ol;platinum is Oc1cc2c(cc1-c1nc(/C=N/c3cccc4cccc(O)c34)cc3ccccc13)c1ccccc1n2-c1ccccc1.[Pt].
What is the InChIKey of 3-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]-9-phenylcarbazol-2-ol;platinum?
The InChIKey is XQPCNBMYDOWMHG-BMIXYTAESA-N. The full InChI is InChI=1S/C38H25N3O2.Pt/c42-35-19-9-12-24-11-8-17-32(37(24)35)39-23-26-20-25-10-4-5-15-28(25)38(40-26)31-21-30-29-16-6-7-18-33(29)41(34(30)22-36(31)43)27-13-2-1-3-14-27;/h1-23,42-43H;/b39-23+;.
What are the key properties of 3-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]-9-phenylcarbazol-2-ol;platinum?
3-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]-9-phenylcarbazol-2-ol;platinum has a molecular weight of 750.72 g/mol, XLogP of 9.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-1-yl]-9-phenylcarbazol-2-ol;platinum is sourced from PubChem (CID 155610020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).