6-(1,3-benzothiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)

C28H18N4PtS — CID 58704144

IUPAC6-(1,3-benzothiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)
SMILES[Pt+2].[c-]1c(N(c2ccccc2)c2cccc(-c3nc4ccccc4s3)n2)cccc1-n1[c-]ccc1
InChIInChI=1S/C28H18N4S.Pt/c1-2-10-21(11-3-1)32(23-13-8-12-22(20-23)31-18-6-7-19-31)27-17-9-15-25(29-27)28-30-24-14-4-5-16-26(24)33-28;/h1-18H;/q-2;+2
InChIKeyONFUJPPJHITRHM-UHFFFAOYSA-N
MW637.63 g/mol
LogP7.22
Rot. Bonds5

About 6-(1,3-benzothiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)

6-(1,3-benzothiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) (PubChem CID 58704144) has the molecular formula C28H18N4PtS and a molecular weight of 637.63 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+).

Molecular Properties

Compound Name6-(1,3-benzothiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)
PubChem CID58704144
Molecular FormulaC28H18N4PtS
Molecular Weight637.63 g/mol
Exact Mass637.09
IUPAC Name6-(1,3-benzothiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)
SMILES[Pt+2].[c-]1c(N(c2ccccc2)c2cccc(-c3nc4ccccc4s3)n2)cccc1-n1[c-]ccc1
InChIInChI=1S/C28H18N4S.Pt/c1-2-10-21(11-3-1)32(23-13-8-12-22(20-23)31-18-6-7-19-31)27-17-9-15-25(29-27)28-30-24-14-4-5-16-26(24)33-28;/h1-18H;/q-2;+2
InChIKeyONFUJPPJHITRHM-UHFFFAOYSA-N
XLogP7.22
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.63
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?
The IUPAC name of 6-(1,3-benzothiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) (CID 58704144) is 6-(1,3-benzothiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+).
What is the SMILES notation for 6-(1,3-benzothiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?
The canonical SMILES for 6-(1,3-benzothiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) is [Pt+2].[c-]1c(N(c2ccccc2)c2cccc(-c3nc4ccccc4s3)n2)cccc1-n1[c-]ccc1.
What is the InChIKey of 6-(1,3-benzothiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?
The InChIKey is ONFUJPPJHITRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4S.Pt/c1-2-10-21(11-3-1)32(23-13-8-12-22(20-23)31-18-6-7-19-31)27-17-9-15-25(29-27)28-30-24-14-4-5-16-26(24)33-28;/h1-18H;/q-2;+2.
What are the key properties of 6-(1,3-benzothiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?
6-(1,3-benzothiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) has a molecular weight of 637.63 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-2-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) is sourced from PubChem (CID 58704144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).