(3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one

C30H25NO2 — CID 50901902

IUPAC(3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
SMILESO=C(C[C@H](c1ccccc1)c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccccc1
InChIInChI=1S/C30H25NO2/c32-30(24-14-8-3-9-15-24)19-26(23-12-6-2-7-13-23)28-20-31-29-17-16-25(18-27(28)29)33-21-22-10-4-1-5-11-22/h1-18,20,26,31H,19,21H2/t26-/m1/s1
InChIKeyAHBWPUYKISDADN-AREMUKBSSA-N
MW431.54 g/mol
LogP7.15
Rot. Bonds8

About (3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one

(3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one (PubChem CID 50901902) has the molecular formula C30H25NO2 and a molecular weight of 431.54 g/mol. Its IUPAC name is (3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name(3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
PubChem CID50901902
Molecular FormulaC30H25NO2
Molecular Weight431.54 g/mol
Exact Mass431.19
IUPAC Name(3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
SMILESO=C(C[C@H](c1ccccc1)c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccccc1
InChIInChI=1S/C30H25NO2/c32-30(24-14-8-3-9-15-24)19-26(23-12-6-2-7-13-23)28-20-31-29-17-16-25(18-27(28)29)33-21-22-10-4-1-5-11-22/h1-18,20,26,31H,19,21H2/t26-/m1/s1
InChIKeyAHBWPUYKISDADN-AREMUKBSSA-N
XLogP7.15
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one
CID 50901334
2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10891912
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 102170720
(3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 139224809
5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole
CID 90344559
2-(4-formylpiperazin-1-yl)-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid
CID 42649300
(3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one
CID 50901337
(E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
CID 71769665
ethyl (2S)-3-nitro-2-(5-phenylmethoxy-1H-indol-3-yl)propanoate
CID 155160271
2-[2-(dimethylamino)ethylamino]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid
CID 42650547
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one
CID 126715490
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one?
The IUPAC name of (3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one (CID 50901902) is (3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for (3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one?
The canonical SMILES for (3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one is O=C(C[C@H](c1ccccc1)c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccccc1.
What is the InChIKey of (3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one?
The InChIKey is AHBWPUYKISDADN-AREMUKBSSA-N. The full InChI is InChI=1S/C30H25NO2/c32-30(24-14-8-3-9-15-24)19-26(23-12-6-2-7-13-23)28-20-31-29-17-16-25(18-27(28)29)33-21-22-10-4-1-5-11-22/h1-18,20,26,31H,19,21H2/t26-/m1/s1.
What are the key properties of (3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one?
(3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one has a molecular weight of 431.54 g/mol, XLogP of 7.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 50901902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).