2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyridine

C32H19NS — CID 134529541

IUPAC2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyridine
SMILESc1ccc(-c2ccc3c(c2)-c2c(sc4ccccc24)C32c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C32H19NS/c1-4-12-25-21(9-1)22-10-2-5-13-26(22)32(25)27-17-16-20(28-14-7-8-18-33-28)19-24(27)30-23-11-3-6-15-29(23)34-31(30)32/h1-19H
InChIKeyVZMHXKSMLVNHIX-UHFFFAOYSA-N
MW449.58 g/mol
LogP8.31
Rot. Bonds1

About 2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyridine

2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyridine (PubChem CID 134529541) has the molecular formula C32H19NS and a molecular weight of 449.58 g/mol. Its IUPAC name is 2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyridine.

Molecular Properties

Compound Name2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyridine
PubChem CID134529541
Molecular FormulaC32H19NS
Molecular Weight449.58 g/mol
Exact Mass449.12
IUPAC Name2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyridine
SMILESc1ccc(-c2ccc3c(c2)-c2c(sc4ccccc24)C32c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C32H19NS/c1-4-12-25-21(9-1)22-10-2-5-13-26(22)32(25)27-17-16-20(28-14-7-8-18-33-28)19-24(27)30-23-11-3-6-15-29(23)34-31(30)32/h1-19H
InChIKeyVZMHXKSMLVNHIX-UHFFFAOYSA-N
XLogP8.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.58
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]
CID 134529610
4-naphthalen-2-yl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine
CID 154619119
4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
CID 134529499
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
CID 134529484
2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine
CID 134529300
N-phenyl-N-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylphenyl)dibenzothiophen-3-amine
CID 134551503
2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
CID 158467372
2-(9,9-dimethylfluoren-2-yl)-4-[4-[1-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]phenyl]-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl-1,3,5-triazine
CID 134533487
4-naphthalen-2-yl-6-phenyl-2-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
CID 134529496
2-naphthalen-1-yl-4-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)-1,3,5-triazine
CID 134529459
2-N-phenyl-2-N,8-N',8-N'-tris(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529798
4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline
CID 134530053

Frequently Asked Questions

What is the IUPAC name of 2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyridine?
The IUPAC name of 2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyridine (CID 134529541) is 2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyridine.
What is the SMILES notation for 2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyridine?
The canonical SMILES for 2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyridine is c1ccc(-c2ccc3c(c2)-c2c(sc4ccccc24)C32c3ccccc3-c3ccccc32)nc1.
What is the InChIKey of 2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyridine?
The InChIKey is VZMHXKSMLVNHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NS/c1-4-12-25-21(9-1)22-10-2-5-13-26(22)32(25)27-17-16-20(28-14-7-8-18-33-28)19-24(27)30-23-11-3-6-15-29(23)34-31(30)32/h1-19H.
What are the key properties of 2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyridine?
2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyridine has a molecular weight of 449.58 g/mol, XLogP of 8.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyridine is sourced from PubChem (CID 134529541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).