3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]

C37H22O3S — CID 122627138

IUPAC3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
SMILESO=S(=O)(c1ccccc1)c1ccc2oc3c4c(ccc3c2c1)C1(c2ccccc2-c2ccccc21)c1ccccc1-4
InChIInChI=1S/C37H22O3S/c38-41(39,23-10-2-1-3-11-23)24-18-21-34-29(22-24)27-19-20-33-35(36(27)40-34)28-14-6-9-17-32(28)37(33)30-15-7-4-12-25(30)26-13-5-8-16-31(26)37/h1-22H
InChIKeyGNPFXRUSBNUTNZ-UHFFFAOYSA-N
MW546.65 g/mol
LogP8.76
Rot. Bonds2

About 3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]

3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] (PubChem CID 122627138) has the molecular formula C37H22O3S and a molecular weight of 546.65 g/mol. Its IUPAC name is 3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran].

Molecular Properties

Compound Name3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
PubChem CID122627138
Molecular FormulaC37H22O3S
Molecular Weight546.65 g/mol
Exact Mass546.13
IUPAC Name3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
SMILESO=S(=O)(c1ccccc1)c1ccc2oc3c4c(ccc3c2c1)C1(c2ccccc2-c2ccccc21)c1ccccc1-4
InChIInChI=1S/C37H22O3S/c38-41(39,23-10-2-1-3-11-23)24-18-21-34-29(22-24)27-19-20-33-35(36(27)40-34)28-14-6-9-17-32(28)37(33)30-15-7-4-12-25(30)26-13-5-8-16-31(26)37/h1-22H
InChIKeyGNPFXRUSBNUTNZ-UHFFFAOYSA-N
XLogP8.76
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.65
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3'-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-phenylphosphoryl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 155112409
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine
CID 162771437
8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 155273655
9,9-bis[4-(benzenesulfonyl)phenyl]fluorene
CID 122401705
N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine
CID 134524868
N-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine
CID 121444459
3,7-diphenyl-10-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenoxazine
CID 121444463
2-[9'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[3'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-yl]-4,6-diphenyl-1,3,5-triazine;methane
CID 162212925
8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172545015
3-[10-(1-benzothiophen-3-yl)anthracen-9-yl]-7,7-diphenylfluoreno[4,3-b][1]benzofuran
CID 176742443
2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylpyrimidine
CID 122627082
1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 130379579

Frequently Asked Questions

What is the IUPAC name of 3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]?
The IUPAC name of 3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] (CID 122627138) is 3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran].
What is the SMILES notation for 3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]?
The canonical SMILES for 3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] is O=S(=O)(c1ccccc1)c1ccc2oc3c4c(ccc3c2c1)C1(c2ccccc2-c2ccccc21)c1ccccc1-4.
What is the InChIKey of 3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]?
The InChIKey is GNPFXRUSBNUTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22O3S/c38-41(39,23-10-2-1-3-11-23)24-18-21-34-29(22-24)27-19-20-33-35(36(27)40-34)28-14-6-9-17-32(28)37(33)30-15-7-4-12-25(30)26-13-5-8-16-31(26)37/h1-22H.
What are the key properties of 3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]?
3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] has a molecular weight of 546.65 g/mol, XLogP of 8.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] is sourced from PubChem (CID 122627138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).