[(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene

C36H36S — CID 132915333

IUPAC[(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene
SMILESC[C@]1([C@@H]2[C@H](c3ccccc3)[C@@]2(C)[C@]2(C)C[C@H]2c2ccccc2)[C@@H](Sc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C36H36S/c1-34(24-29(34)25-16-8-4-9-17-25)36(3)30(26-18-10-5-11-19-26)32(36)35(2)31(27-20-12-6-13-21-27)33(35)37-28-22-14-7-15-23-28/h4-23,29-33H,24H2,1-3H3/t29-,30-,31-,32-,33-,34+,35-,36+/m0/s1
InChIKeyKEWYTQDXZHKUAD-FFPINXDDSA-N
MW500.75 g/mol
LogP9.56
Rot. Bonds7

About [(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene

[(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene (PubChem CID 132915333) has the molecular formula C36H36S and a molecular weight of 500.75 g/mol. Its IUPAC name is [(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene.

Molecular Properties

Compound Name[(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene
PubChem CID132915333
Molecular FormulaC36H36S
Molecular Weight500.75 g/mol
Exact Mass500.25
IUPAC Name[(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene
SMILESC[C@]1([C@@H]2[C@H](c3ccccc3)[C@@]2(C)[C@]2(C)C[C@H]2c2ccccc2)[C@@H](Sc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C36H36S/c1-34(24-29(34)25-16-8-4-9-17-25)36(3)30(26-18-10-5-11-19-26)32(36)35(2)31(27-20-12-6-13-21-27)33(35)37-28-22-14-7-15-23-28/h4-23,29-33H,24H2,1-3H3/t29-,30-,31-,32-,33-,34+,35-,36+/m0/s1
InChIKeyKEWYTQDXZHKUAD-FFPINXDDSA-N
XLogP9.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.75
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene?
The IUPAC name of [(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene (CID 132915333) is [(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene.
What is the SMILES notation for [(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene?
The canonical SMILES for [(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene is C[C@]1([C@@H]2[C@H](c3ccccc3)[C@@]2(C)[C@]2(C)C[C@H]2c2ccccc2)[C@@H](Sc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of [(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene?
The InChIKey is KEWYTQDXZHKUAD-FFPINXDDSA-N. The full InChI is InChI=1S/C36H36S/c1-34(24-29(34)25-16-8-4-9-17-25)36(3)30(26-18-10-5-11-19-26)32(36)35(2)31(27-20-12-6-13-21-27)33(35)37-28-22-14-7-15-23-28/h4-23,29-33H,24H2,1-3H3/t29-,30-,31-,32-,33-,34+,35-,36+/m0/s1.
What are the key properties of [(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene?
[(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene has a molecular weight of 500.75 g/mol, XLogP of 9.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene is sourced from PubChem (CID 132915333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).