bromoplatinum(1+);2-(2-phenoxy-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine

C22H15BrN2OPt — CID 58637269

IUPACbromoplatinum(1+);2-(2-phenoxy-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine
SMILESBr[Pt+].[c-]1c(-c2ccccn2)ccc(Oc2ccccc2)c1-c1ccccn1
InChIInChI=1S/C22H15N2O.BrH.Pt/c1-2-8-18(9-3-1)25-22-13-12-17(20-10-4-6-14-23-20)16-19(22)21-11-5-7-15-24-21;;/h1-15H;1H;/q-1;;+2/p-1
InChIKeyDJGJDWNNRQDNNM-UHFFFAOYSA-M
MW598.36 g/mol
LogP6.25
Rot. Bonds4

About bromoplatinum(1+);2-(2-phenoxy-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine

bromoplatinum(1+);2-(2-phenoxy-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine (PubChem CID 58637269) has the molecular formula C22H15BrN2OPt and a molecular weight of 598.36 g/mol. Its IUPAC name is bromoplatinum(1+);2-(2-phenoxy-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine.

Molecular Properties

Compound Namebromoplatinum(1+);2-(2-phenoxy-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine
PubChem CID58637269
Molecular FormulaC22H15BrN2OPt
Molecular Weight598.36 g/mol
Exact Mass597.00
IUPAC Namebromoplatinum(1+);2-(2-phenoxy-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine
SMILESBr[Pt+].[c-]1c(-c2ccccn2)ccc(Oc2ccccc2)c1-c1ccccn1
InChIInChI=1S/C22H15N2O.BrH.Pt/c1-2-8-18(9-3-1)25-22-13-12-17(20-10-4-6-14-23-20)16-19(22)21-11-5-7-15-24-21;;/h1-15H;1H;/q-1;;+2/p-1
InChIKeyDJGJDWNNRQDNNM-UHFFFAOYSA-M
XLogP6.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.36
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 9841261
2-(4-Piperidinopropoxyphenyl)indolizine
CID 9923762
1-Ethyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 9968975
3-Ethyl-2-[4-(3-piperidinylpropoxy)phenyl]indolizine
CID 10109296
1-Methyl-2-[4-(3-piperidinopropoxy)-phenyl]indolizine
CID 10132505
8-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 10132506
5-Methyl-2-(4-piperidinylpropoxyphenyl)indolizine
CID 10269256
1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 44215411
6-Methyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)indolizine
CID 44294704
7-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 44294847
1,4-Bis(2-pyridylmethoxy)benzene
CID 71357016
4,4'-Diphenoxy-2,2'-bipyridine
CID 21259177

Frequently Asked Questions

What is the IUPAC name of bromoplatinum(1+);2-(2-phenoxy-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine?
The IUPAC name of bromoplatinum(1+);2-(2-phenoxy-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine (CID 58637269) is bromoplatinum(1+);2-(2-phenoxy-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine.
What is the SMILES notation for bromoplatinum(1+);2-(2-phenoxy-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine?
The canonical SMILES for bromoplatinum(1+);2-(2-phenoxy-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine is Br[Pt+].[c-]1c(-c2ccccn2)ccc(Oc2ccccc2)c1-c1ccccn1.
What is the InChIKey of bromoplatinum(1+);2-(2-phenoxy-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine?
The InChIKey is DJGJDWNNRQDNNM-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H15N2O.BrH.Pt/c1-2-8-18(9-3-1)25-22-13-12-17(20-10-4-6-14-23-20)16-19(22)21-11-5-7-15-24-21;;/h1-15H;1H;/q-1;;+2/p-1.
What are the key properties of bromoplatinum(1+);2-(2-phenoxy-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine?
bromoplatinum(1+);2-(2-phenoxy-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine has a molecular weight of 598.36 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromoplatinum(1+);2-(2-phenoxy-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 58637269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).