6-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)-1,2-dihydropyridine

C36H25NS2 — CID 118860823

IUPAC6-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)-1,2-dihydropyridine
SMILESC1=CCNC(c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2C32c3ccccc3Sc3ccccc32)=C1
InChIInChI=1S/C36H25NS2/c1-2-10-24(11-3-1)25-17-19-29-34(22-25)39-35-23-26(31-14-8-9-21-37-31)18-20-30(35)36(29)27-12-4-6-15-32(27)38-33-16-7-5-13-28(33)36/h1-20,22-23,37H,21H2
InChIKeyUDSIVNYMQSPJBU-UHFFFAOYSA-N
MW535.74 g/mol
LogP9.17
Rot. Bonds2

About 6-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)-1,2-dihydropyridine

6-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)-1,2-dihydropyridine (PubChem CID 118860823) has the molecular formula C36H25NS2 and a molecular weight of 535.74 g/mol. Its IUPAC name is 6-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)-1,2-dihydropyridine
PubChem CID118860823
Molecular FormulaC36H25NS2
Molecular Weight535.74 g/mol
Exact Mass535.14
IUPAC Name6-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)-1,2-dihydropyridine
SMILESC1=CCNC(c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2C32c3ccccc3Sc3ccccc32)=C1
InChIInChI=1S/C36H25NS2/c1-2-10-24(11-3-1)25-17-19-29-34(22-25)39-35-23-26(31-14-8-9-21-37-31)18-20-30(35)36(29)27-12-4-6-15-32(27)38-33-16-7-5-13-28(33)36/h1-20,22-23,37H,21H2
InChIKeyUDSIVNYMQSPJBU-UHFFFAOYSA-N
XLogP9.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.74
LogP ≤ 59.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(9-(4-fluorophenyl)-9-thioxanthenyl)ethylenediamine
CID 177821697
4-Fluoro-2-thianthren-1-yl-6-triphenylen-2-yl-1,2,3,6-tetrahydropyridine
CID 144214514
N,N'-bis(9-phenyl-9-thioxanthenyl)ethylenediamine
CID 132279257
trans-N,N'-bis(9-phenyl-9-thioxanthenyl)cyclohexane-1,4-diamine
CID 137321438
N,N'-bis(9-cyclohexyl-9-thioxanthenyl)ethylenediamine
CID 138753584
trans-N,N'-bis(9-phenyl-9-thioxanthenyl)cyclohexane-1,2-diamine
CID 146036748
N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine: toluene (1:1)
CID 168354594
N-cyclohexa-1,5-dien-1-yl-4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[thioxanthene]-3-yl]-2-phenylaniline
CID 118860494
6-[3,10a-dimethyl-4-(3-phenylphenyl)spiro[4,5-dihydro-3H-thioxanthene-9,9'-thioxanthene]-3'-yl]-1,2-dihydropyridine
CID 118860615
2-(4'-cyclohexa-1,3-dien-1-yl-9,9'-spirobi[thioxanthene]-3-yl)-N,6-diphenylaniline
CID 118860703
5-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[thioxanthene]-3-yl]-1-methyl-2H-pyrimidine
CID 118860722
4-[24-(1,2-Dihydropyridin-6-yl)-8,21-dithiapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydropyridine
CID 118860725

Frequently Asked Questions

What is the IUPAC name of 6-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)-1,2-dihydropyridine?
The IUPAC name of 6-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)-1,2-dihydropyridine (CID 118860823) is 6-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)-1,2-dihydropyridine.
What is the SMILES notation for 6-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)-1,2-dihydropyridine?
The canonical SMILES for 6-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)-1,2-dihydropyridine is C1=CCNC(c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2C32c3ccccc3Sc3ccccc32)=C1.
What is the InChIKey of 6-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)-1,2-dihydropyridine?
The InChIKey is UDSIVNYMQSPJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NS2/c1-2-10-24(11-3-1)25-17-19-29-34(22-25)39-35-23-26(31-14-8-9-21-37-31)18-20-30(35)36(29)27-12-4-6-15-32(27)38-33-16-7-5-13-28(33)36/h1-20,22-23,37H,21H2.
What are the key properties of 6-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)-1,2-dihydropyridine?
6-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)-1,2-dihydropyridine has a molecular weight of 535.74 g/mol, XLogP of 9.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)-1,2-dihydropyridine is sourced from PubChem (CID 118860823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).