5-bromo-1H-indole;5-bromo-1-(2-phenylmethoxyphenyl)indole;methane

C30H26Br2N2O — CID 144633531

IUPAC5-bromo-1H-indole;5-bromo-1-(2-phenylmethoxyphenyl)indole;methane
SMILESBrc1ccc2[nH]ccc2c1.Brc1ccc2c(ccn2-c2ccccc2OCc2ccccc2)c1.C
InChIInChI=1S/C21H16BrNO.C8H6BrN.CH4/c22-18-10-11-19-17(14-18)12-13-23(19)20-8-4-5-9-21(20)24-15-16-6-2-1-3-7-16;9-7-1-2-8-6(5-7)3-4-10-8;/h1-14H,15H2;1-5,10H;1H4
InChIKeyPSMHZHCERFPIFU-UHFFFAOYSA-N
MW590.36 g/mol
LogP9.54
Rot. Bonds4

About 5-bromo-1H-indole;5-bromo-1-(2-phenylmethoxyphenyl)indole;methane

5-bromo-1H-indole;5-bromo-1-(2-phenylmethoxyphenyl)indole;methane (PubChem CID 144633531) has the molecular formula C30H26Br2N2O and a molecular weight of 590.36 g/mol. Its IUPAC name is 5-bromo-1H-indole;5-bromo-1-(2-phenylmethoxyphenyl)indole;methane.

Molecular Properties

Compound Name5-bromo-1H-indole;5-bromo-1-(2-phenylmethoxyphenyl)indole;methane
PubChem CID144633531
Molecular FormulaC30H26Br2N2O
Molecular Weight590.36 g/mol
Exact Mass588.04
IUPAC Name5-bromo-1H-indole;5-bromo-1-(2-phenylmethoxyphenyl)indole;methane
SMILESBrc1ccc2[nH]ccc2c1.Brc1ccc2c(ccn2-c2ccccc2OCc2ccccc2)c1.C
InChIInChI=1S/C21H16BrNO.C8H6BrN.CH4/c22-18-10-11-19-17(14-18)12-13-23(19)20-8-4-5-9-21(20)24-15-16-6-2-1-3-7-16;9-7-1-2-8-6(5-7)3-4-10-8;/h1-14H,15H2;1-5,10H;1H4
InChIKeyPSMHZHCERFPIFU-UHFFFAOYSA-N
XLogP9.54
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.36
LogP ≤ 59.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-1H-indole;5-bromo-1-(2-phenylmethoxyphenyl)indole;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{[4-(2-ethoxyphenyl)-1-piperazinyl]methyl}-1H-indole
CID 3504099
1-(3,6-Dibromo-carbazol-9-yl)-3-(4-ethoxy-phenylamino)-propan-2-ol
CID 2836209
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72735021
1-(3,5-Dibromoindol-1-yl)-3-[(3-phenylmethoxyphenyl)methylamino]propan-2-ol
CID 155517345
3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole
CID 7118195
Rivularin B
CID 21674192
1-(3,6-dibromo-9H-carbazol-9-yl)-3-[(2-methoxyphenyl)amino]propan-2-ol
CID 2836195
3,3'-[(4-Methoxyphenyl) methylene]-bis-(5-bromo-1h-indole)
CID 3745174
3-[(3-bromo-4-methoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole
CID 72196381
3-[(3-bromo-4-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 72196741
6-bromo-1-[2-(1H-indol-5-yloxy)ethyl]-4,4-dimethyl-2,3-dihydroquinoline
CID 137636846
5-bromo-3-[(5-bromo-1H-indol-3-yl)-[1-(2-methoxyphenyl)triazol-4-yl]methyl]-1H-indole
CID 145990868

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indole;5-bromo-1-(2-phenylmethoxyphenyl)indole;methane?
The IUPAC name of 5-bromo-1H-indole;5-bromo-1-(2-phenylmethoxyphenyl)indole;methane (CID 144633531) is 5-bromo-1H-indole;5-bromo-1-(2-phenylmethoxyphenyl)indole;methane.
What is the SMILES notation for 5-bromo-1H-indole;5-bromo-1-(2-phenylmethoxyphenyl)indole;methane?
The canonical SMILES for 5-bromo-1H-indole;5-bromo-1-(2-phenylmethoxyphenyl)indole;methane is Brc1ccc2[nH]ccc2c1.Brc1ccc2c(ccn2-c2ccccc2OCc2ccccc2)c1.C.
What is the InChIKey of 5-bromo-1H-indole;5-bromo-1-(2-phenylmethoxyphenyl)indole;methane?
The InChIKey is PSMHZHCERFPIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrNO.C8H6BrN.CH4/c22-18-10-11-19-17(14-18)12-13-23(19)20-8-4-5-9-21(20)24-15-16-6-2-1-3-7-16;9-7-1-2-8-6(5-7)3-4-10-8;/h1-14H,15H2;1-5,10H;1H4.
What are the key properties of 5-bromo-1H-indole;5-bromo-1-(2-phenylmethoxyphenyl)indole;methane?
5-bromo-1H-indole;5-bromo-1-(2-phenylmethoxyphenyl)indole;methane has a molecular weight of 590.36 g/mol, XLogP of 9.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indole;5-bromo-1-(2-phenylmethoxyphenyl)indole;methane is sourced from PubChem (CID 144633531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).