2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene]

C37H24O2S2 — CID 59426988

IUPAC2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene]
SMILESO=S(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(S(=O)c3ccccc3)cc21
InChIInChI=1S/C37H24O2S2/c38-40(25-11-3-1-4-12-25)27-19-21-31-29-15-7-9-17-33(29)37(35(31)23-27)34-18-10-8-16-30(34)32-22-20-28(24-36(32)37)41(39)26-13-5-2-6-14-26/h1-24H
InChIKeyKQJOHDQQAIRHKH-UHFFFAOYSA-N
MW564.73 g/mol
LogP8.36
Rot. Bonds4

About 2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene]

2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene] (PubChem CID 59426988) has the molecular formula C37H24O2S2 and a molecular weight of 564.73 g/mol. Its IUPAC name is 2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene]
PubChem CID59426988
Molecular FormulaC37H24O2S2
Molecular Weight564.73 g/mol
Exact Mass564.12
IUPAC Name2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene]
SMILESO=S(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(S(=O)c3ccccc3)cc21
InChIInChI=1S/C37H24O2S2/c38-40(25-11-3-1-4-12-25)27-19-21-31-29-15-7-9-17-33(29)37(35(31)23-27)34-18-10-8-16-30(34)32-22-20-28(24-36(32)37)41(39)26-13-5-2-6-14-26/h1-24H
InChIKeyKQJOHDQQAIRHKH-UHFFFAOYSA-N
XLogP8.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene]
CID 59167173
2-[[2,7-bis(benzenesulfinyl)-7'-pyridin-2-ylsulfinyl-9,9'-spirobi[fluorene]-2'-yl]sulfinyl]pyridine
CID 140932784
2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene]
CID 134550597
(2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid
CID 121230960
CID 147413538
CID 147413538
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
tetrakis(9,9'-spirobi[fluorene]-2-yl)silane
CID 21032480
phenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane
CID 87932191
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476

Frequently Asked Questions

What is the IUPAC name of 2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene]?
The IUPAC name of 2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene] (CID 59426988) is 2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene] is O=S(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(S(=O)c3ccccc3)cc21.
What is the InChIKey of 2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene]?
The InChIKey is KQJOHDQQAIRHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24O2S2/c38-40(25-11-3-1-4-12-25)27-19-21-31-29-15-7-9-17-33(29)37(35(31)23-27)34-18-10-8-16-30(34)32-22-20-28(24-36(32)37)41(39)26-13-5-2-6-14-26/h1-24H.
What are the key properties of 2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene]?
2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene] has a molecular weight of 564.73 g/mol, XLogP of 8.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 59426988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).