1-(3,6-dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol

C28H29Br2N3O — CID 2836156

IUPAC1-(3,6-dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(CC=Cc2ccccc2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C28H29Br2N3O/c29-22-8-10-27-25(17-22)26-18-23(30)9-11-28(26)33(27)20-24(34)19-32-15-13-31(14-16-32)12-4-7-21-5-2-1-3-6-21/h1-11,17-18,24,34H,12-16,19-20H2
InChIKeyHZGVYCKFXUCJKR-UHFFFAOYSA-N
MW583.37 g/mol
LogP6.01
Rot. Bonds7

About 1-(3,6-dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol

1-(3,6-dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol (PubChem CID 2836156) has the molecular formula C28H29Br2N3O and a molecular weight of 583.37 g/mol. Its IUPAC name is 1-(3,6-dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol
PubChem CID2836156
Molecular FormulaC28H29Br2N3O
Molecular Weight583.37 g/mol
Exact Mass581.07
IUPAC Name1-(3,6-dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(CC=Cc2ccccc2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C28H29Br2N3O/c29-22-8-10-27-25(17-22)26-18-23(30)9-11-28(26)33(27)20-24(34)19-32-15-13-31(14-16-32)12-4-7-21-5-2-1-3-6-21/h1-11,17-18,24,34H,12-16,19-20H2
InChIKeyHZGVYCKFXUCJKR-UHFFFAOYSA-N
XLogP6.01
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.37
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,6-dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol 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-(3,6-dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol (CID 2836156) is 1-(3,6-dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(3,6-dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(3,6-dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol is OC(CN1CCN(CC=Cc2ccccc2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-(3,6-dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol?
The InChIKey is HZGVYCKFXUCJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Br2N3O/c29-22-8-10-27-25(17-22)26-18-23(30)9-11-28(26)33(27)20-24(34)19-32-15-13-31(14-16-32)12-4-7-21-5-2-1-3-6-21/h1-11,17-18,24,34H,12-16,19-20H2.
What are the key properties of 1-(3,6-dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol?
1-(3,6-dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol has a molecular weight of 583.37 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 2836156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).