2,2-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3-(2,2,3,3-tetramethylcyclopropylidene)indole

C36H37NO2S — CID 25209474

IUPAC2,2-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3-(2,2,3,3-tetramethylcyclopropylidene)indole
SMILESCc1ccc(C2(c3ccc(C)cc3)C(=C3C(C)(C)C3(C)C)c3ccccc3N2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C36H37NO2S/c1-24-12-18-27(19-13-24)36(28-20-14-25(2)15-21-28)32(33-34(4,5)35(33,6)7)30-10-8-9-11-31(30)37(36)40(38,39)29-22-16-26(3)17-23-29/h8-23H,1-7H3
InChIKeyZGBISBTUURMOQL-UHFFFAOYSA-N
MW547.76 g/mol
LogP8.58
Rot. Bonds4

About 2,2-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3-(2,2,3,3-tetramethylcyclopropylidene)indole

2,2-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3-(2,2,3,3-tetramethylcyclopropylidene)indole (PubChem CID 25209474) has the molecular formula C36H37NO2S and a molecular weight of 547.76 g/mol. Its IUPAC name is 2,2-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3-(2,2,3,3-tetramethylcyclopropylidene)indole.

Molecular Properties

Compound Name2,2-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3-(2,2,3,3-tetramethylcyclopropylidene)indole
PubChem CID25209474
Molecular FormulaC36H37NO2S
Molecular Weight547.76 g/mol
Exact Mass547.25
IUPAC Name2,2-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3-(2,2,3,3-tetramethylcyclopropylidene)indole
SMILESCc1ccc(C2(c3ccc(C)cc3)C(=C3C(C)(C)C3(C)C)c3ccccc3N2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C36H37NO2S/c1-24-12-18-27(19-13-24)36(28-20-14-25(2)15-21-28)32(33-34(4,5)35(33,6)7)30-10-8-9-11-31(30)37(36)40(38,39)29-22-16-26(3)17-23-29/h8-23H,1-7H3
InChIKeyZGBISBTUURMOQL-UHFFFAOYSA-N
XLogP8.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.76
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
2-[(E)-3-cyclohexylprop-1-enyl]-2-methyl-1-(4-methylphenyl)sulfonyl-3H-indole
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2,4,4-trimethyl-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine
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CID 177411910
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9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene
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CID 102407362
2-(4-methylphenyl)sulfonyl-3,4-dihydroisoquinolin-1-one
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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3-(2,2,3,3-tetramethylcyclopropylidene)indole?
The IUPAC name of 2,2-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3-(2,2,3,3-tetramethylcyclopropylidene)indole (CID 25209474) is 2,2-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3-(2,2,3,3-tetramethylcyclopropylidene)indole.
What is the SMILES notation for 2,2-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3-(2,2,3,3-tetramethylcyclopropylidene)indole?
The canonical SMILES for 2,2-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3-(2,2,3,3-tetramethylcyclopropylidene)indole is Cc1ccc(C2(c3ccc(C)cc3)C(=C3C(C)(C)C3(C)C)c3ccccc3N2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2,2-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3-(2,2,3,3-tetramethylcyclopropylidene)indole?
The InChIKey is ZGBISBTUURMOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37NO2S/c1-24-12-18-27(19-13-24)36(28-20-14-25(2)15-21-28)32(33-34(4,5)35(33,6)7)30-10-8-9-11-31(30)37(36)40(38,39)29-22-16-26(3)17-23-29/h8-23H,1-7H3.
What are the key properties of 2,2-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3-(2,2,3,3-tetramethylcyclopropylidene)indole?
2,2-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3-(2,2,3,3-tetramethylcyclopropylidene)indole has a molecular weight of 547.76 g/mol, XLogP of 8.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3-(2,2,3,3-tetramethylcyclopropylidene)indole is sourced from PubChem (CID 25209474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).