(5-fluoro-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone

C24H17FN2O2 — CID 11501874

IUPAC(5-fluoro-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C24H17FN2O2/c25-18-6-8-20-16(10-18)12-22(26-20)24(28)23-13-17-11-19(7-9-21(17)27-23)29-14-15-4-2-1-3-5-15/h1-13,26-27H,14H2
InChIKeyNELMVDCGAWGQEN-UHFFFAOYSA-N
MW384.41 g/mol
LogP5.60
Rot. Bonds5

About (5-fluoro-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone

(5-fluoro-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone (PubChem CID 11501874) has the molecular formula C24H17FN2O2 and a molecular weight of 384.41 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
PubChem CID11501874
Molecular FormulaC24H17FN2O2
Molecular Weight384.41 g/mol
Exact Mass384.13
IUPAC Name(5-fluoro-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C24H17FN2O2/c25-18-6-8-20-16(10-18)12-22(26-20)24(28)23-13-17-11-19(7-9-21(17)27-23)29-14-15-4-2-1-3-5-15/h1-13,26-27H,14H2
InChIKeyNELMVDCGAWGQEN-UHFFFAOYSA-N
XLogP5.60
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.41
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone?
The IUPAC name of (5-fluoro-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone (CID 11501874) is (5-fluoro-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone?
The canonical SMILES for (5-fluoro-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone is O=C(c1cc2cc(F)ccc2[nH]1)c1cc2cc(OCc3ccccc3)ccc2[nH]1.
What is the InChIKey of (5-fluoro-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone?
The InChIKey is NELMVDCGAWGQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O2/c25-18-6-8-20-16(10-18)12-22(26-20)24(28)23-13-17-11-19(7-9-21(17)27-23)29-14-15-4-2-1-3-5-15/h1-13,26-27H,14H2.
What are the key properties of (5-fluoro-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone?
(5-fluoro-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone has a molecular weight of 384.41 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 11501874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).