(3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one

C27H21NO — CID 139224809

IUPAC(3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one
SMILESO=C(C[C@H](c1ccc2ccccc2c1)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C27H21NO/c29-27(20-9-2-1-3-10-20)17-24(25-18-28-26-13-7-6-12-23(25)26)22-15-14-19-8-4-5-11-21(19)16-22/h1-16,18,24,28H,17H2/t24-/m1/s1
InChIKeyLUBXTXDAKYRVOW-XMMPIXPASA-N
MW375.47 g/mol
LogP6.73
Rot. Bonds5

About (3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one

(3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one (PubChem CID 139224809) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is (3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one
PubChem CID139224809
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC Name(3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one
SMILESO=C(C[C@H](c1ccc2ccccc2c1)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C27H21NO/c29-27(20-9-2-1-3-10-20)17-24(25-18-28-26-13-7-6-12-23(25)26)22-15-14-19-8-4-5-11-21(19)16-22/h1-16,18,24,28H,17H2/t24-/m1/s1
InChIKeyLUBXTXDAKYRVOW-XMMPIXPASA-N
XLogP6.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one
CID 126715490
(3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one
CID 50901337
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 102170720
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)propan-1-one
CID 24851301
(3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one
CID 50901334
(3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
CID 50901902
3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid
CID 3550541
3-(1,3-benzodioxol-5-yl)-3-(5-bromo-1H-indol-3-yl)-1-phenylpropan-1-one
CID 101415572
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-3-yl)propanoic acid
CID 42656837
(2R)-2-(1H-indol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid
CID 927890
2-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4-oxobutanoic acid
CID 129234967
(3S)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 102311824

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one?
The IUPAC name of (3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one (CID 139224809) is (3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one.
What is the SMILES notation for (3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one?
The canonical SMILES for (3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one is O=C(C[C@H](c1ccc2ccccc2c1)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of (3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one?
The InChIKey is LUBXTXDAKYRVOW-XMMPIXPASA-N. The full InChI is InChI=1S/C27H21NO/c29-27(20-9-2-1-3-10-20)17-24(25-18-28-26-13-7-6-12-23(25)26)22-15-14-19-8-4-5-11-21(19)16-22/h1-16,18,24,28H,17H2/t24-/m1/s1.
What are the key properties of (3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one?
(3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one has a molecular weight of 375.47 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one is sourced from PubChem (CID 139224809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).