2,2'-bis(3H-thiophen-3-id-2-yl)spiro[5H-quinoline-6,6'-7,8-dihydro-5H-quinoline];platinum(2+);2-thiophen-2-ylquinoline

C38H27N3PtS3 — CID 160956175

IUPAC2,2'-bis(3H-thiophen-3-id-2-yl)spiro[5H-quinoline-6,6'-7,8-dihydro-5H-quinoline];platinum(2+);2-thiophen-2-ylquinoline
SMILES[Pt+2].[c-]1ccsc1-c1ccc2c(n1)C=CC1(CCc3nc(-c4[c-]ccs4)ccc3C1)C2.c1csc(-c2ccc3ccccc3n2)c1
InChIInChI=1S/C25H18N2S2.C13H9NS.Pt/c1-3-23(28-13-1)21-7-5-17-15-25(11-9-19(17)26-21)12-10-20-18(16-25)6-8-22(27-20)24-4-2-14-29-24;1-2-5-11-10(4-1)7-8-12(14-11)13-6-3-9-15-13;/h1-2,5-9,11,13-14H,10,12,15-16H2;1-9H;/q-2;;+2
InChIKeyZHJVICPZILCJBB-UHFFFAOYSA-N
MW816.93 g/mol
LogP10.24
Rot. Bonds3

About 2,2'-bis(3H-thiophen-3-id-2-yl)spiro[5H-quinoline-6,6'-7,8-dihydro-5H-quinoline];platinum(2+);2-thiophen-2-ylquinoline

2,2'-bis(3H-thiophen-3-id-2-yl)spiro[5H-quinoline-6,6'-7,8-dihydro-5H-quinoline];platinum(2+);2-thiophen-2-ylquinoline (PubChem CID 160956175) has the molecular formula C38H27N3PtS3 and a molecular weight of 816.93 g/mol. Its IUPAC name is 2,2'-bis(3H-thiophen-3-id-2-yl)spiro[5H-quinoline-6,6'-7,8-dihydro-5H-quinoline];platinum(2+);2-thiophen-2-ylquinoline.

Molecular Properties

Compound Name2,2'-bis(3H-thiophen-3-id-2-yl)spiro[5H-quinoline-6,6'-7,8-dihydro-5H-quinoline];platinum(2+);2-thiophen-2-ylquinoline
PubChem CID160956175
Molecular FormulaC38H27N3PtS3
Molecular Weight816.93 g/mol
Exact Mass816.10
IUPAC Name2,2'-bis(3H-thiophen-3-id-2-yl)spiro[5H-quinoline-6,6'-7,8-dihydro-5H-quinoline];platinum(2+);2-thiophen-2-ylquinoline
SMILES[Pt+2].[c-]1ccsc1-c1ccc2c(n1)C=CC1(CCc3nc(-c4[c-]ccs4)ccc3C1)C2.c1csc(-c2ccc3ccccc3n2)c1
InChIInChI=1S/C25H18N2S2.C13H9NS.Pt/c1-3-23(28-13-1)21-7-5-17-15-25(11-9-19(17)26-21)12-10-20-18(16-25)6-8-22(27-20)24-4-2-14-29-24;1-2-5-11-10(4-1)7-8-12(14-11)13-6-3-9-15-13;/h1-2,5-9,11,13-14H,10,12,15-16H2;1-9H;/q-2;;+2
InChIKeyZHJVICPZILCJBB-UHFFFAOYSA-N
XLogP10.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.93
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,2'-bis(3H-thiophen-3-id-2-yl)spiro[5H-quinoline-6,6'-7,8-dihydro-5H-quinoline];platinum(2+);2-thiophen-2-ylquinoline with MolForge

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Related Compounds

iridium(3+);tris(1-(3H-thiophen-3-id-2-yl)isoquinoline);1-thiophen-2-ylisoquinoline
CID 159368317
2,3-diiodo-6-thiophen-2-ylpyridine
CID 118059126
iridium;methanol;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine
CID 153468258
2-(5-iodothiophen-2-yl)quinoline
CID 125484417
6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline
CID 155549397
2-quinolin-2-yl-4H-1,3,4-thiadiazin-5-one
CID 21283496
8-fluoro-2-thiophen-2-ylquinoline
CID 142776739
iridium;tris(2-phenylquinoline)
CID 122129463
4-phenyl-2-thiophen-2-ylquinoline
CID 8966250
carbanide;2-phenylquinoline;platinum
CID 21044184
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline
CID 46845625

Frequently Asked Questions

What is the IUPAC name of 2,2'-bis(3H-thiophen-3-id-2-yl)spiro[5H-quinoline-6,6'-7,8-dihydro-5H-quinoline];platinum(2+);2-thiophen-2-ylquinoline?
The IUPAC name of 2,2'-bis(3H-thiophen-3-id-2-yl)spiro[5H-quinoline-6,6'-7,8-dihydro-5H-quinoline];platinum(2+);2-thiophen-2-ylquinoline (CID 160956175) is 2,2'-bis(3H-thiophen-3-id-2-yl)spiro[5H-quinoline-6,6'-7,8-dihydro-5H-quinoline];platinum(2+);2-thiophen-2-ylquinoline.
What is the SMILES notation for 2,2'-bis(3H-thiophen-3-id-2-yl)spiro[5H-quinoline-6,6'-7,8-dihydro-5H-quinoline];platinum(2+);2-thiophen-2-ylquinoline?
The canonical SMILES for 2,2'-bis(3H-thiophen-3-id-2-yl)spiro[5H-quinoline-6,6'-7,8-dihydro-5H-quinoline];platinum(2+);2-thiophen-2-ylquinoline is [Pt+2].[c-]1ccsc1-c1ccc2c(n1)C=CC1(CCc3nc(-c4[c-]ccs4)ccc3C1)C2.c1csc(-c2ccc3ccccc3n2)c1.
What is the InChIKey of 2,2'-bis(3H-thiophen-3-id-2-yl)spiro[5H-quinoline-6,6'-7,8-dihydro-5H-quinoline];platinum(2+);2-thiophen-2-ylquinoline?
The InChIKey is ZHJVICPZILCJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2S2.C13H9NS.Pt/c1-3-23(28-13-1)21-7-5-17-15-25(11-9-19(17)26-21)12-10-20-18(16-25)6-8-22(27-20)24-4-2-14-29-24;1-2-5-11-10(4-1)7-8-12(14-11)13-6-3-9-15-13;/h1-2,5-9,11,13-14H,10,12,15-16H2;1-9H;/q-2;;+2.
What are the key properties of 2,2'-bis(3H-thiophen-3-id-2-yl)spiro[5H-quinoline-6,6'-7,8-dihydro-5H-quinoline];platinum(2+);2-thiophen-2-ylquinoline?
2,2'-bis(3H-thiophen-3-id-2-yl)spiro[5H-quinoline-6,6'-7,8-dihydro-5H-quinoline];platinum(2+);2-thiophen-2-ylquinoline has a molecular weight of 816.93 g/mol, XLogP of 10.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2'-bis(3H-thiophen-3-id-2-yl)spiro[5H-quinoline-6,6'-7,8-dihydro-5H-quinoline];platinum(2+);2-thiophen-2-ylquinoline is sourced from PubChem (CID 160956175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).