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

C52H34OS — CID 59167173

IUPAC2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene]
SMILESCc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(S(=O)c3ccc4c(c3)C3(c5ccccc5-c5ccc(C)cc53)c3ccccc3-4)cc21
InChIInChI=1S/C52H34OS/c1-31-19-23-39-35-11-3-7-15-43(35)51(47(39)27-31)45-17-9-5-13-37(45)41-25-21-33(29-49(41)51)54(53)34-22-26-42-38-14-6-10-18-46(38)52(50(42)30-34)44-16-8-4-12-36(44)40-24-20-32(2)28-48(40)52/h3-30H,1-2H3
InChIKeyLZHMNHPXWIKLIW-UHFFFAOYSA-N
MW706.91 g/mol
LogP12.16
Rot. Bonds2

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

2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene] (PubChem CID 59167173) has the molecular formula C52H34OS and a molecular weight of 706.91 g/mol. Its IUPAC name is 2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene]
PubChem CID59167173
Molecular FormulaC52H34OS
Molecular Weight706.91 g/mol
Exact Mass706.23
IUPAC Name2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene]
SMILESCc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(S(=O)c3ccc4c(c3)C3(c5ccccc5-c5ccc(C)cc53)c3ccccc3-4)cc21
InChIInChI=1S/C52H34OS/c1-31-19-23-39-35-11-3-7-15-43(35)51(47(39)27-31)45-17-9-5-13-37(45)41-25-21-33(29-49(41)51)54(53)34-22-26-42-38-14-6-10-18-46(38)52(50(42)30-34)44-16-8-4-12-36(44)40-24-20-32(2)28-48(40)52/h3-30H,1-2H3
InChIKeyLZHMNHPXWIKLIW-UHFFFAOYSA-N
XLogP12.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.91
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene]
CID 134550597
2,2'-bis(benzenesulfinyl)-9,9'-spirobi[fluorene]
CID 59426988
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
CID 58607554
CID 58607554
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255
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
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
(3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene]
CID 144810497

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene] (CID 59167173) is 2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene] is Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(S(=O)c3ccc4c(c3)C3(c5ccccc5-c5ccc(C)cc53)c3ccccc3-4)cc21.
What is the InChIKey of 2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene]?
The InChIKey is LZHMNHPXWIKLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34OS/c1-31-19-23-39-35-11-3-7-15-43(35)51(47(39)27-31)45-17-9-5-13-37(45)41-25-21-33(29-49(41)51)54(53)34-22-26-42-38-14-6-10-18-46(38)52(50(42)30-34)44-16-8-4-12-36(44)40-24-20-32(2)28-48(40)52/h3-30H,1-2H3.
What are the key properties of 2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene]?
2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene] has a molecular weight of 706.91 g/mol, XLogP of 12.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 59167173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).