1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one

C33H26Br2N2O — CID 24798925

IUPAC1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one
SMILESO=C(CC(c1ccc(Br)cc1)c1c[nH]c2ccccc12)CC(c1ccc(Br)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C33H26Br2N2O/c34-23-13-9-21(10-14-23)28(30-19-36-32-7-3-1-5-26(30)32)17-25(38)18-29(22-11-15-24(35)16-12-22)31-20-37-33-8-4-2-6-27(31)33/h1-16,19-20,28-29,36-37H,17-18H2
InChIKeyVNGULNLLGKUJLT-UHFFFAOYSA-N
MW626.39 g/mol
LogP9.49
Rot. Bonds8

About 1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one

1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one (PubChem CID 24798925) has the molecular formula C33H26Br2N2O and a molecular weight of 626.39 g/mol. Its IUPAC name is 1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one
PubChem CID24798925
Molecular FormulaC33H26Br2N2O
Molecular Weight626.39 g/mol
Exact Mass624.04
IUPAC Name1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one
SMILESO=C(CC(c1ccc(Br)cc1)c1c[nH]c2ccccc12)CC(c1ccc(Br)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C33H26Br2N2O/c34-23-13-9-21(10-14-23)28(30-19-36-32-7-3-1-5-26(30)32)17-25(38)18-29(22-11-15-24(35)16-12-22)31-20-37-33-8-4-2-6-27(31)33/h1-16,19-20,28-29,36-37H,17-18H2
InChIKeyVNGULNLLGKUJLT-UHFFFAOYSA-N
XLogP9.49
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.39
LogP ≤ 59.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one?
The IUPAC name of 1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one (CID 24798925) is 1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one.
What is the SMILES notation for 1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one?
The canonical SMILES for 1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one is O=C(CC(c1ccc(Br)cc1)c1c[nH]c2ccccc12)CC(c1ccc(Br)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one?
The InChIKey is VNGULNLLGKUJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26Br2N2O/c34-23-13-9-21(10-14-23)28(30-19-36-32-7-3-1-5-26(30)32)17-25(38)18-29(22-11-15-24(35)16-12-22)31-20-37-33-8-4-2-6-27(31)33/h1-16,19-20,28-29,36-37H,17-18H2.
What are the key properties of 1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one?
1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one has a molecular weight of 626.39 g/mol, XLogP of 9.49, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-bromophenyl)-1,5-bis(1H-indol-3-yl)pentan-3-one is sourced from PubChem (CID 24798925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).