2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene]

C58H38O2S2 — CID 134550597

IUPAC2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene]
SMILESCc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(S(=O)c3ccc(S(=O)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cccc(C)c4-5)cc3)cc21
InChIInChI=1S/C58H38O2S2/c1-35-22-29-45-43-15-5-9-19-50(43)58(53(45)32-35)51-20-10-6-16-44(51)46-30-27-39(33-54(46)58)61(59)37-23-25-38(26-24-37)62(60)40-28-31-47-55(34-40)57(52-21-11-12-36(2)56(47)52)48-17-7-3-13-41(48)42-14-4-8-18-49(42)57/h3-34H,1-2H3
InChIKeyFBSOALFCTZAJSW-UHFFFAOYSA-N
MW831.07 g/mol
LogP13.32
Rot. Bonds4

About 2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene]

2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene] (PubChem CID 134550597) has the molecular formula C58H38O2S2 and a molecular weight of 831.07 g/mol. Its IUPAC name is 2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene]
PubChem CID134550597
Molecular FormulaC58H38O2S2
Molecular Weight831.07 g/mol
Exact Mass830.23
IUPAC Name2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene]
SMILESCc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(S(=O)c3ccc(S(=O)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cccc(C)c4-5)cc3)cc21
InChIInChI=1S/C58H38O2S2/c1-35-22-29-45-43-15-5-9-19-50(43)58(53(45)32-35)51-20-10-6-16-44(51)46-30-27-39(33-54(46)58)61(59)37-23-25-38(26-24-37)62(60)40-28-31-47-55(34-40)57(52-21-11-12-36(2)56(47)52)48-17-7-3-13-41(48)42-14-4-8-18-49(42)57/h3-34H,1-2H3
InChIKeyFBSOALFCTZAJSW-UHFFFAOYSA-N
XLogP13.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.07
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene] with MolForge

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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-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
9',17'-dimethylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 160896143
3,4'-dimethyl-9,9'-spirobi[fluorene]
CID 145204038
2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene]
CID 59426988
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
CID 160627919
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
CID 58607554
CID 58607554
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 159829393
4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane
CID 161481336
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene
CID 159806985

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene]?
The IUPAC name of 2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene] (CID 134550597) is 2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene] is Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(S(=O)c3ccc(S(=O)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cccc(C)c4-5)cc3)cc21.
What is the InChIKey of 2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene]?
The InChIKey is FBSOALFCTZAJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38O2S2/c1-35-22-29-45-43-15-5-9-19-50(43)58(53(45)32-35)51-20-10-6-16-44(51)46-30-27-39(33-54(46)58)61(59)37-23-25-38(26-24-37)62(60)40-28-31-47-55(34-40)57(52-21-11-12-36(2)56(47)52)48-17-7-3-13-41(48)42-14-4-8-18-49(42)57/h3-34H,1-2H3.
What are the key properties of 2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene]?
2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene] has a molecular weight of 831.07 g/mol, XLogP of 13.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 134550597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).