1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;phenol;platinum

C31H23N2OPt- — CID 58975612

IUPAC1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;phenol;platinum
SMILESCc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Oc1ccccc1.[Pt]
InChIInChI=1S/C25H17N2.C6H6O.Pt/c1-17-14-20(24-22-8-4-2-6-18(22)10-12-26-24)16-21(15-17)25-23-9-5-3-7-19(23)11-13-27-25;7-6-4-2-1-3-5-6;/h2-15H,1H3;1-5,7H;/q-1;;
InChIKeySVYHPZDUVLEYEZ-UHFFFAOYSA-N
MW634.62 g/mol
LogP7.62
Rot. Bonds2

About 1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;phenol;platinum

1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;phenol;platinum (PubChem CID 58975612) has the molecular formula C31H23N2OPt- and a molecular weight of 634.62 g/mol. Its IUPAC name is 1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;phenol;platinum.

Molecular Properties

Compound Name1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;phenol;platinum
PubChem CID58975612
Molecular FormulaC31H23N2OPt-
Molecular Weight634.62 g/mol
Exact Mass634.15
IUPAC Name1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;phenol;platinum
SMILESCc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Oc1ccccc1.[Pt]
InChIInChI=1S/C25H17N2.C6H6O.Pt/c1-17-14-20(24-22-8-4-2-6-18(22)10-12-26-24)16-21(15-17)25-23-9-5-3-7-19(23)11-13-27-25;7-6-4-2-1-3-5-6;/h2-15H,1H3;1-5,7H;/q-1;;
InChIKeySVYHPZDUVLEYEZ-UHFFFAOYSA-N
XLogP7.62
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.62
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284
3-[3-methyl-5-[3-[(E)-2-phenylethenyl]-5-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]phenol
CID 118352515
4-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 136086715
4-{4-[2-(2-Isoquinolin-5-yl-1H-indol-3-yl)-ethylamino]-butyl}-phenol
CID 44365485
3-(4-pyridin-2-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol
CID 122183827
3-(4-pyridin-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol
CID 122183828
3-(2-pyridin-4-yl-5H-indeno[1,2-b]pyridin-4-yl)phenol
CID 134148169
3-(2-pyridin-3-yl-5H-indeno[1,2-b]pyridin-4-yl)phenol
CID 134156350
2-(2-pyridin-4-yl-5H-indeno[1,2-b]pyridin-4-yl)phenol
CID 137317442
3-(2-Phenyl-6-pyridin-3-yl-4-pyridinyl)phenol
CID 46887246
3-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol
CID 122183829

Frequently Asked Questions

What is the IUPAC name of 1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;phenol;platinum?
The IUPAC name of 1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;phenol;platinum (CID 58975612) is 1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;phenol;platinum.
What is the SMILES notation for 1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;phenol;platinum?
The canonical SMILES for 1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;phenol;platinum is Cc1cc(-c2nccc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.Oc1ccccc1.[Pt].
What is the InChIKey of 1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;phenol;platinum?
The InChIKey is SVYHPZDUVLEYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N2.C6H6O.Pt/c1-17-14-20(24-22-8-4-2-6-18(22)10-12-26-24)16-21(15-17)25-23-9-5-3-7-19(23)11-13-27-25;7-6-4-2-1-3-5-6;/h2-15H,1H3;1-5,7H;/q-1;;.
What are the key properties of 1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;phenol;platinum?
1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;phenol;platinum has a molecular weight of 634.62 g/mol, XLogP of 7.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;phenol;platinum is sourced from PubChem (CID 58975612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).