spiro[1,3-dihydroindole-2,2'-thiochromene];stilbene

C30H25NS — CID 175559209

IUPACspiro[1,3-dihydroindole-2,2'-thiochromene];stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.C1=CC2(Cc3ccccc3N2)Sc2ccccc21
InChIInChI=1S/C16H13NS.C14H12/c1-3-7-14-13(6-1)11-16(17-14)10-9-12-5-2-4-8-15(12)18-16;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10,17H,11H2;1-12H
InChIKeyVFURLGHZFFYULF-UHFFFAOYSA-N
MW431.60 g/mol
LogP8.03
Rot. Bonds2

About spiro[1,3-dihydroindole-2,2'-thiochromene];stilbene

spiro[1,3-dihydroindole-2,2'-thiochromene];stilbene (PubChem CID 175559209) has the molecular formula C30H25NS and a molecular weight of 431.60 g/mol. Its IUPAC name is spiro[1,3-dihydroindole-2,2'-thiochromene];stilbene.

Molecular Properties

Compound Namespiro[1,3-dihydroindole-2,2'-thiochromene];stilbene
PubChem CID175559209
Molecular FormulaC30H25NS
Molecular Weight431.60 g/mol
Exact Mass431.17
IUPAC Namespiro[1,3-dihydroindole-2,2'-thiochromene];stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.C1=CC2(Cc3ccccc3N2)Sc2ccccc21
InChIInChI=1S/C16H13NS.C14H12/c1-3-7-14-13(6-1)11-16(17-14)10-9-12-5-2-4-8-15(12)18-16;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10,17H,11H2;1-12H
InChIKeyVFURLGHZFFYULF-UHFFFAOYSA-N
XLogP8.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.60
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dihydroindole-2,2'-thiochromene];stilbene?
The IUPAC name of spiro[1,3-dihydroindole-2,2'-thiochromene];stilbene (CID 175559209) is spiro[1,3-dihydroindole-2,2'-thiochromene];stilbene.
What is the SMILES notation for spiro[1,3-dihydroindole-2,2'-thiochromene];stilbene?
The canonical SMILES for spiro[1,3-dihydroindole-2,2'-thiochromene];stilbene is C(=Cc1ccccc1)c1ccccc1.C1=CC2(Cc3ccccc3N2)Sc2ccccc21.
What is the InChIKey of spiro[1,3-dihydroindole-2,2'-thiochromene];stilbene?
The InChIKey is VFURLGHZFFYULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS.C14H12/c1-3-7-14-13(6-1)11-16(17-14)10-9-12-5-2-4-8-15(12)18-16;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10,17H,11H2;1-12H.
What are the key properties of spiro[1,3-dihydroindole-2,2'-thiochromene];stilbene?
spiro[1,3-dihydroindole-2,2'-thiochromene];stilbene has a molecular weight of 431.60 g/mol, XLogP of 8.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dihydroindole-2,2'-thiochromene];stilbene is sourced from PubChem (CID 175559209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).