4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9-phenylcarbazol-3-ol;platinum

C38H25N3O2Pt — CID 155609997

IUPAC4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9-phenylcarbazol-3-ol;platinum
SMILESOc1ccc2c(c1-c1cc3ccccc3c(/C=N/c3cccc4cccc(O)c34)n1)c1ccccc1n2-c1ccccc1.[Pt]
InChIInChI=1S/C38H25N3O2.Pt/c42-34-19-9-12-24-11-8-17-29(36(24)34)39-23-31-27-15-5-4-10-25(27)22-30(40-31)38-35(43)21-20-33-37(38)28-16-6-7-18-32(28)41(33)26-13-2-1-3-14-26;/h1-23,42-43H;/b39-23+;
InChIKeyZVTUYBSDFJJEHA-BMIXYTAESA-N
MW750.72 g/mol
LogP9.31
Rot. Bonds4

About 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9-phenylcarbazol-3-ol;platinum

4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9-phenylcarbazol-3-ol;platinum (PubChem CID 155609997) has the molecular formula C38H25N3O2Pt and a molecular weight of 750.72 g/mol. Its IUPAC name is 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9-phenylcarbazol-3-ol;platinum.

Molecular Properties

Compound Name4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9-phenylcarbazol-3-ol;platinum
PubChem CID155609997
Molecular FormulaC38H25N3O2Pt
Molecular Weight750.72 g/mol
Exact Mass750.16
IUPAC Name4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9-phenylcarbazol-3-ol;platinum
SMILESOc1ccc2c(c1-c1cc3ccccc3c(/C=N/c3cccc4cccc(O)c34)n1)c1ccccc1n2-c1ccccc1.[Pt]
InChIInChI=1S/C38H25N3O2.Pt/c42-34-19-9-12-24-11-8-17-29(36(24)34)39-23-31-27-15-5-4-10-25(27)22-30(40-31)38-35(43)21-20-33-37(38)28-16-6-7-18-32(28)41(33)26-13-2-1-3-14-26;/h1-23,42-43H;/b39-23+;
InChIKeyZVTUYBSDFJJEHA-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
Bisnicalaterine D
CID 54583796
11-Ethyl-5,6-dihydrobenzo[a]carbazole-4,8-diol
CID 44350156
11-Ethylbenzo[a]carbazole-4,8-diol
CID 44350433
1-Methyl-2-phenyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol
CID 90681209
1-Benzyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol
CID 90681210
5-(6-Hydroxyquinolin-5-yl)quinolin-6-ol
CID 135490847
2-[4-(3,5-Ditert-butylphenyl)-6-[3-[4-[9-[3-[2-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 170676709
4-(3-Phenylindol-1-yl)naphthalen-1-ol
CID 132576645
1-(2-Hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol
CID 136669307
1-(11-Ethylbenzo[a]carbazol-6-yl)naphthalen-2-ol
CID 138984742
6-Carbazol-9-yl-1-(6-carbazol-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 139239332

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9-phenylcarbazol-3-ol;platinum?
The IUPAC name of 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9-phenylcarbazol-3-ol;platinum (CID 155609997) is 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9-phenylcarbazol-3-ol;platinum.
What is the SMILES notation for 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9-phenylcarbazol-3-ol;platinum?
The canonical SMILES for 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9-phenylcarbazol-3-ol;platinum is Oc1ccc2c(c1-c1cc3ccccc3c(/C=N/c3cccc4cccc(O)c34)n1)c1ccccc1n2-c1ccccc1.[Pt].
What is the InChIKey of 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9-phenylcarbazol-3-ol;platinum?
The InChIKey is ZVTUYBSDFJJEHA-BMIXYTAESA-N. The full InChI is InChI=1S/C38H25N3O2.Pt/c42-34-19-9-12-24-11-8-17-29(36(24)34)39-23-31-27-15-5-4-10-25(27)22-30(40-31)38-35(43)21-20-33-37(38)28-16-6-7-18-32(28)41(33)26-13-2-1-3-14-26;/h1-23,42-43H;/b39-23+;.
What are the key properties of 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9-phenylcarbazol-3-ol;platinum?
4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9-phenylcarbazol-3-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 4-[1-[(8-hydroxynaphthalen-1-yl)iminomethyl]isoquinolin-3-yl]-9-phenylcarbazol-3-ol;platinum is sourced from PubChem (CID 155609997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).