1-[4-[[(E)-1,3-diphenylprop-2-enyl]sulfanylmethyl]phenyl]indole

C30H25NS — CID 135221933

IUPAC1-[4-[[(E)-1,3-diphenylprop-2-enyl]sulfanylmethyl]phenyl]indole
SMILESC(=C/C(SCc1ccc(-n2ccc3ccccc32)cc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C30H25NS/c1-3-9-24(10-4-1)17-20-30(27-12-5-2-6-13-27)32-23-25-15-18-28(19-16-25)31-22-21-26-11-7-8-14-29(26)31/h1-22,30H,23H2/b20-17+
InChIKeyLDLXHIVBMWVYJP-LVZFUZTISA-N
MW431.60 g/mol
LogP8.32
Rot. Bonds7

About 1-[4-[[(E)-1,3-diphenylprop-2-enyl]sulfanylmethyl]phenyl]indole

1-[4-[[(E)-1,3-diphenylprop-2-enyl]sulfanylmethyl]phenyl]indole (PubChem CID 135221933) has the molecular formula C30H25NS and a molecular weight of 431.60 g/mol. Its IUPAC name is 1-[4-[[(E)-1,3-diphenylprop-2-enyl]sulfanylmethyl]phenyl]indole.

Molecular Properties

Compound Name1-[4-[[(E)-1,3-diphenylprop-2-enyl]sulfanylmethyl]phenyl]indole
PubChem CID135221933
Molecular FormulaC30H25NS
Molecular Weight431.60 g/mol
Exact Mass431.17
IUPAC Name1-[4-[[(E)-1,3-diphenylprop-2-enyl]sulfanylmethyl]phenyl]indole
SMILESC(=C/C(SCc1ccc(-n2ccc3ccccc32)cc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C30H25NS/c1-3-9-24(10-4-1)17-20-30(27-12-5-2-6-13-27)32-23-25-15-18-28(19-16-25)31-22-21-26-11-7-8-14-29(26)31/h1-22,30H,23H2/b20-17+
InChIKeyLDLXHIVBMWVYJP-LVZFUZTISA-N
XLogP8.32
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.60
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(E)-1,3-diphenylprop-2-enyl]sulfanylmethyl]phenyl]indole?
The IUPAC name of 1-[4-[[(E)-1,3-diphenylprop-2-enyl]sulfanylmethyl]phenyl]indole (CID 135221933) is 1-[4-[[(E)-1,3-diphenylprop-2-enyl]sulfanylmethyl]phenyl]indole.
What is the SMILES notation for 1-[4-[[(E)-1,3-diphenylprop-2-enyl]sulfanylmethyl]phenyl]indole?
The canonical SMILES for 1-[4-[[(E)-1,3-diphenylprop-2-enyl]sulfanylmethyl]phenyl]indole is C(=C/C(SCc1ccc(-n2ccc3ccccc32)cc1)c1ccccc1)\c1ccccc1.
What is the InChIKey of 1-[4-[[(E)-1,3-diphenylprop-2-enyl]sulfanylmethyl]phenyl]indole?
The InChIKey is LDLXHIVBMWVYJP-LVZFUZTISA-N. The full InChI is InChI=1S/C30H25NS/c1-3-9-24(10-4-1)17-20-30(27-12-5-2-6-13-27)32-23-25-15-18-28(19-16-25)31-22-21-26-11-7-8-14-29(26)31/h1-22,30H,23H2/b20-17+.
What are the key properties of 1-[4-[[(E)-1,3-diphenylprop-2-enyl]sulfanylmethyl]phenyl]indole?
1-[4-[[(E)-1,3-diphenylprop-2-enyl]sulfanylmethyl]phenyl]indole has a molecular weight of 431.60 g/mol, XLogP of 8.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(E)-1,3-diphenylprop-2-enyl]sulfanylmethyl]phenyl]indole is sourced from PubChem (CID 135221933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).