2-[1-[3-(2-hydroxyphenyl)isoquinolin-1-yl]isoquinolin-3-yl]phenol;platinum

C30H20N2O2Pt — CID 135975688

IUPAC2-[1-[3-(2-hydroxyphenyl)isoquinolin-1-yl]isoquinolin-3-yl]phenol;platinum
SMILESOc1ccccc1-c1cc2ccccc2c(-c2nc(-c3ccccc3O)cc3ccccc23)n1.[Pt]
InChIInChI=1S/C30H20N2O2.Pt/c33-27-15-7-5-13-23(27)25-17-19-9-1-3-11-21(19)29(31-25)30-22-12-4-2-10-20(22)18-26(32-30)24-14-6-8-16-28(24)34;/h1-18,33-34H;
InChIKeyZSLNKASVMOFLHP-UHFFFAOYSA-N
MW635.58 g/mol
LogP7.19
Rot. Bonds3

About 2-[1-[3-(2-hydroxyphenyl)isoquinolin-1-yl]isoquinolin-3-yl]phenol;platinum

2-[1-[3-(2-hydroxyphenyl)isoquinolin-1-yl]isoquinolin-3-yl]phenol;platinum (PubChem CID 135975688) has the molecular formula C30H20N2O2Pt and a molecular weight of 635.58 g/mol. Its IUPAC name is 2-[1-[3-(2-hydroxyphenyl)isoquinolin-1-yl]isoquinolin-3-yl]phenol;platinum.

Molecular Properties

Compound Name2-[1-[3-(2-hydroxyphenyl)isoquinolin-1-yl]isoquinolin-3-yl]phenol;platinum
PubChem CID135975688
Molecular FormulaC30H20N2O2Pt
Molecular Weight635.58 g/mol
Exact Mass635.12
IUPAC Name2-[1-[3-(2-hydroxyphenyl)isoquinolin-1-yl]isoquinolin-3-yl]phenol;platinum
SMILESOc1ccccc1-c1cc2ccccc2c(-c2nc(-c3ccccc3O)cc3ccccc23)n1.[Pt]
InChIInChI=1S/C30H20N2O2.Pt/c33-27-15-7-5-13-23(27)25-17-19-9-1-3-11-21(19)29(31-25)30-22-12-4-2-10-20(22)18-26(32-30)24-14-6-8-16-28(24)34;/h1-18,33-34H;
InChIKeyZSLNKASVMOFLHP-UHFFFAOYSA-N
XLogP7.19
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.58
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-Diphenylisoquinolin-1-yl)-phenylmethyl]phenol
CID 76152013
6,6'-Bis(2-hydroxyphenyl)-2,2'-bipyridyl
CID 135430854
17-Phenyl-2,32-dioxa-34-aza-33-azonia-1-boranuidanonacyclo[16.14.1.11,9.03,8.010,15.019,24.025,33.026,31.016,34]tetratriaconta-3,5,7,9,11,13,15,17,19,21,23,25(33),26,28,30-pentadecaene
CID 173853132
2-Phenanthridin-6-ylphenol
CID 135461703
2-[(4-Cyclopropyl-3-phenylisoquinolin-1-yl)-phenylmethyl]phenol
CID 76152006
1-Naphthalen-1-yl-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaene
CID 102080100
1-[1-(2-Hydroxynaphthalen-1-yl)isoquinolin-3-yl]naphthalen-2-ol
CID 136763100
1-(4-Carbazol-9-ylphenyl)-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaene
CID 139161521
2-[(5Z)-5-[[5-(2-oxidophenyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]pyrrol-2-yl]phenolate;platinum
CID 139168141
2-[5-[(Z)-[3,4-diethyl-5-(2-oxidophenyl)pyrrol-2-ylidene]methyl]-3,4-diethylpyrrol-1-id-2-yl]phenolate;platinum
CID 139168142
2-[6-[[4,7-Bis[[6-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-2-pyridinyl]-4-fluorophenol
CID 136915396
4-[6-[6-(4-Hydroxy-2,5-diphenylthiophen-3-yl)-2-pyridinyl]-2-pyridinyl]-2,5-diphenylthiophen-3-ol;platinum
CID 57796277

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-hydroxyphenyl)isoquinolin-1-yl]isoquinolin-3-yl]phenol;platinum?
The IUPAC name of 2-[1-[3-(2-hydroxyphenyl)isoquinolin-1-yl]isoquinolin-3-yl]phenol;platinum (CID 135975688) is 2-[1-[3-(2-hydroxyphenyl)isoquinolin-1-yl]isoquinolin-3-yl]phenol;platinum.
What is the SMILES notation for 2-[1-[3-(2-hydroxyphenyl)isoquinolin-1-yl]isoquinolin-3-yl]phenol;platinum?
The canonical SMILES for 2-[1-[3-(2-hydroxyphenyl)isoquinolin-1-yl]isoquinolin-3-yl]phenol;platinum is Oc1ccccc1-c1cc2ccccc2c(-c2nc(-c3ccccc3O)cc3ccccc23)n1.[Pt].
What is the InChIKey of 2-[1-[3-(2-hydroxyphenyl)isoquinolin-1-yl]isoquinolin-3-yl]phenol;platinum?
The InChIKey is ZSLNKASVMOFLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O2.Pt/c33-27-15-7-5-13-23(27)25-17-19-9-1-3-11-21(19)29(31-25)30-22-12-4-2-10-20(22)18-26(32-30)24-14-6-8-16-28(24)34;/h1-18,33-34H;.
What are the key properties of 2-[1-[3-(2-hydroxyphenyl)isoquinolin-1-yl]isoquinolin-3-yl]phenol;platinum?
2-[1-[3-(2-hydroxyphenyl)isoquinolin-1-yl]isoquinolin-3-yl]phenol;platinum has a molecular weight of 635.58 g/mol, XLogP of 7.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-hydroxyphenyl)isoquinolin-1-yl]isoquinolin-3-yl]phenol;platinum is sourced from PubChem (CID 135975688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).