4-spiro[6,12-dihydrobenzo[c][2]benzothiocine-11,9'-fluorene]-2'-yl-1,2-dihydropyridine

C32H25NS — CID 145291477

IUPAC4-spiro[6,12-dihydrobenzo[c][2]benzothiocine-11,9'-fluorene]-2'-yl-1,2-dihydropyridine
SMILESC1=CC(c2ccc3c(c2)C2(Cc4ccccc4SCc4ccccc42)c2ccccc2-3)=CCN1
InChIInChI=1S/C32H25NS/c1-4-10-28-25(8-1)21-34-31-12-6-2-7-24(31)20-32(28)29-11-5-3-9-26(29)27-14-13-23(19-30(27)32)22-15-17-33-18-16-22/h1-17,19,33H,18,20-21H2
InChIKeyFSKRSMCGXWBXLY-UHFFFAOYSA-N
MW455.63 g/mol
LogP7.35
Rot. Bonds1

About 4-spiro[6,12-dihydrobenzo[c][2]benzothiocine-11,9'-fluorene]-2'-yl-1,2-dihydropyridine

4-spiro[6,12-dihydrobenzo[c][2]benzothiocine-11,9'-fluorene]-2'-yl-1,2-dihydropyridine (PubChem CID 145291477) has the molecular formula C32H25NS and a molecular weight of 455.63 g/mol. Its IUPAC name is 4-spiro[6,12-dihydrobenzo[c][2]benzothiocine-11,9'-fluorene]-2'-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name4-spiro[6,12-dihydrobenzo[c][2]benzothiocine-11,9'-fluorene]-2'-yl-1,2-dihydropyridine
PubChem CID145291477
Molecular FormulaC32H25NS
Molecular Weight455.63 g/mol
Exact Mass455.17
IUPAC Name4-spiro[6,12-dihydrobenzo[c][2]benzothiocine-11,9'-fluorene]-2'-yl-1,2-dihydropyridine
SMILESC1=CC(c2ccc3c(c2)C2(Cc4ccccc4SCc4ccccc42)c2ccccc2-3)=CCN1
InChIInChI=1S/C32H25NS/c1-4-10-28-25(8-1)21-34-31-12-6-2-7-24(31)20-32(28)29-11-5-3-9-26(29)27-14-13-23(19-30(27)32)22-15-17-33-18-16-22/h1-17,19,33H,18,20-21H2
InChIKeyFSKRSMCGXWBXLY-UHFFFAOYSA-N
XLogP7.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.63
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[3-[4-(1,2-dihydropyridin-4-yl)phenyl]-5-fluoranthen-3-ylphenyl]phenyl]-1,2-dihydropyridine
CID 126746430
4-dibenzofuran-2-yl-6-[2-(1,2-dihydropyridin-4-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)pyrimidine
CID 129043994
4-(2-bromophenyl)-1,2-dihydropyridine
CID 173278953
4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,2-dihydropyridine-6-carbonitrile
CID 153124199
4-[4-[7-(1,2-dihydropyridin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8-methyl-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,10,12,14-hexaene
CID 134389425
1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine
CID 174778237
2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
CID 58814378
4-(6H-benzo[c]thiochromen-2-yl)aniline
CID 165116806
2-(9H-fluoren-3-yl)-9,9-dimethylfluorene
CID 144953405
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170217849
2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 71108881
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine
CID 139307428

Frequently Asked Questions

What is the IUPAC name of 4-spiro[6,12-dihydrobenzo[c][2]benzothiocine-11,9'-fluorene]-2'-yl-1,2-dihydropyridine?
The IUPAC name of 4-spiro[6,12-dihydrobenzo[c][2]benzothiocine-11,9'-fluorene]-2'-yl-1,2-dihydropyridine (CID 145291477) is 4-spiro[6,12-dihydrobenzo[c][2]benzothiocine-11,9'-fluorene]-2'-yl-1,2-dihydropyridine.
What is the SMILES notation for 4-spiro[6,12-dihydrobenzo[c][2]benzothiocine-11,9'-fluorene]-2'-yl-1,2-dihydropyridine?
The canonical SMILES for 4-spiro[6,12-dihydrobenzo[c][2]benzothiocine-11,9'-fluorene]-2'-yl-1,2-dihydropyridine is C1=CC(c2ccc3c(c2)C2(Cc4ccccc4SCc4ccccc42)c2ccccc2-3)=CCN1.
What is the InChIKey of 4-spiro[6,12-dihydrobenzo[c][2]benzothiocine-11,9'-fluorene]-2'-yl-1,2-dihydropyridine?
The InChIKey is FSKRSMCGXWBXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NS/c1-4-10-28-25(8-1)21-34-31-12-6-2-7-24(31)20-32(28)29-11-5-3-9-26(29)27-14-13-23(19-30(27)32)22-15-17-33-18-16-22/h1-17,19,33H,18,20-21H2.
What are the key properties of 4-spiro[6,12-dihydrobenzo[c][2]benzothiocine-11,9'-fluorene]-2'-yl-1,2-dihydropyridine?
4-spiro[6,12-dihydrobenzo[c][2]benzothiocine-11,9'-fluorene]-2'-yl-1,2-dihydropyridine has a molecular weight of 455.63 g/mol, XLogP of 7.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-spiro[6,12-dihydrobenzo[c][2]benzothiocine-11,9'-fluorene]-2'-yl-1,2-dihydropyridine is sourced from PubChem (CID 145291477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).