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

C31H24N2O3 — CID 11698527

IUPACbis(5-phenylmethoxy-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(OCc3ccccc3)ccc2[nH]1)c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C31H24N2O3/c34-31(29-17-23-15-25(11-13-27(23)32-29)35-19-21-7-3-1-4-8-21)30-18-24-16-26(12-14-28(24)33-30)36-20-22-9-5-2-6-10-22/h1-18,32-33H,19-20H2
InChIKeyLETCCNZWSVSOFU-UHFFFAOYSA-N
MW472.54 g/mol
LogP7.04
Rot. Bonds8

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

bis(5-phenylmethoxy-1H-indol-2-yl)methanone (PubChem CID 11698527) has the molecular formula C31H24N2O3 and a molecular weight of 472.54 g/mol. Its IUPAC name is bis(5-phenylmethoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Namebis(5-phenylmethoxy-1H-indol-2-yl)methanone
PubChem CID11698527
Molecular FormulaC31H24N2O3
Molecular Weight472.54 g/mol
Exact Mass472.18
IUPAC Namebis(5-phenylmethoxy-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(OCc3ccccc3)ccc2[nH]1)c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C31H24N2O3/c34-31(29-17-23-15-25(11-13-27(23)32-29)35-19-21-7-3-1-4-8-21)30-18-24-16-26(12-14-28(24)33-30)36-20-22-9-5-2-6-10-22/h1-18,32-33H,19-20H2
InChIKeyLETCCNZWSVSOFU-UHFFFAOYSA-N
XLogP7.04
TPSA67.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methyl-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11625102
2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
CID 172736590
(2-methoxyphenyl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 10970353
(3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 160518033
(5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 142529081
[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 3-phenylpropanoate
CID 5330553
[4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 1279407
N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide
CID 71190441
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate
CID 66854349
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 67870554
methyl 2-benzyl-3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 22570321
pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 58417893

Frequently Asked Questions

What is the IUPAC name of bis(5-phenylmethoxy-1H-indol-2-yl)methanone?
The IUPAC name of bis(5-phenylmethoxy-1H-indol-2-yl)methanone (CID 11698527) is bis(5-phenylmethoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for bis(5-phenylmethoxy-1H-indol-2-yl)methanone?
The canonical SMILES for bis(5-phenylmethoxy-1H-indol-2-yl)methanone is O=C(c1cc2cc(OCc3ccccc3)ccc2[nH]1)c1cc2cc(OCc3ccccc3)ccc2[nH]1.
What is the InChIKey of bis(5-phenylmethoxy-1H-indol-2-yl)methanone?
The InChIKey is LETCCNZWSVSOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O3/c34-31(29-17-23-15-25(11-13-27(23)32-29)35-19-21-7-3-1-4-8-21)30-18-24-16-26(12-14-28(24)33-30)36-20-22-9-5-2-6-10-22/h1-18,32-33H,19-20H2.
What are the key properties of bis(5-phenylmethoxy-1H-indol-2-yl)methanone?
bis(5-phenylmethoxy-1H-indol-2-yl)methanone has a molecular weight of 472.54 g/mol, XLogP of 7.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-phenylmethoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 11698527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).