bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone

C33H28N2O — CID 91093763

IUPACbis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone
SMILESO=C(c1ccc(CCc2c[nH]c3ccccc23)cc1)c1ccc(CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C33H28N2O/c36-33(25-15-9-23(10-16-25)13-19-27-21-34-31-7-3-1-5-29(27)31)26-17-11-24(12-18-26)14-20-28-22-35-32-8-4-2-6-30(28)32/h1-12,15-18,21-22,34-35H,13-14,19-20H2
InChIKeyMBGRCQSKWXSQCL-UHFFFAOYSA-N
MW468.60 g/mol
LogP7.45
Rot. Bonds8

About bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone

bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone (PubChem CID 91093763) has the molecular formula C33H28N2O and a molecular weight of 468.60 g/mol. Its IUPAC name is bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone.

Molecular Properties

Compound Namebis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone
PubChem CID91093763
Molecular FormulaC33H28N2O
Molecular Weight468.60 g/mol
Exact Mass468.22
IUPAC Namebis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone
SMILESO=C(c1ccc(CCc2c[nH]c3ccccc23)cc1)c1ccc(CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C33H28N2O/c36-33(25-15-9-23(10-16-25)13-19-27-21-34-31-7-3-1-5-29(27)31)26-17-11-24(12-18-26)14-20-28-22-35-32-8-4-2-6-30(28)32/h1-12,15-18,21-22,34-35H,13-14,19-20H2
InChIKeyMBGRCQSKWXSQCL-UHFFFAOYSA-N
XLogP7.45
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 57.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone
CID 2774238
2-[4-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-1-yl]-1-phenylethanone bromide
CID 2774234
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
4-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]benzoic acid
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3-(1H-indol-3-yl)propanoyloxidanium
CID 142492757
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
4-(1H-indol-3-yl)butanamide
CID 588715
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
4-(1H-indol-3-yl)-1-phenylbutan-1-one
CID 101437539
S-amino 4-(1H-indol-3-yl)butanethioate
CID 87254354
1-(1H-indol-3-yl)hexan-3-one
CID 166814803

Frequently Asked Questions

What is the IUPAC name of bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone?
The IUPAC name of bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone (CID 91093763) is bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone.
What is the SMILES notation for bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone?
The canonical SMILES for bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone is O=C(c1ccc(CCc2c[nH]c3ccccc23)cc1)c1ccc(CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone?
The InChIKey is MBGRCQSKWXSQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2O/c36-33(25-15-9-23(10-16-25)13-19-27-21-34-31-7-3-1-5-29(27)31)26-17-11-24(12-18-26)14-20-28-22-35-32-8-4-2-6-30(28)32/h1-12,15-18,21-22,34-35H,13-14,19-20H2.
What are the key properties of bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone?
bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone has a molecular weight of 468.60 g/mol, XLogP of 7.45, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone is sourced from PubChem (CID 91093763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).