1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol

C34H35BrN4O2 — CID 3098890

IUPAC1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(CC(O)Cn2c3ccccc3c3cc(Br)ccc32)CC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C34H35BrN4O2/c35-24-13-14-34-30(19-24)29-9-3-6-12-33(29)39(34)23-26(41)21-37-17-15-36(16-18-37)20-25(40)22-38-31-10-4-1-7-27(31)28-8-2-5-11-32(28)38/h1-14,19,25-26,40-41H,15-18,20-23H2
InChIKeyVHVJBTKSEFANSC-UHFFFAOYSA-N
MW611.58 g/mol
LogP5.70
Rot. Bonds8

About 1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol

1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol (PubChem CID 3098890) has the molecular formula C34H35BrN4O2 and a molecular weight of 611.58 g/mol. Its IUPAC name is 1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
PubChem CID3098890
Molecular FormulaC34H35BrN4O2
Molecular Weight611.58 g/mol
Exact Mass610.19
IUPAC Name1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(CC(O)Cn2c3ccccc3c3cc(Br)ccc32)CC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C34H35BrN4O2/c35-24-13-14-34-30(19-24)29-9-3-6-12-33(29)39(34)23-26(41)21-37-17-15-36(16-18-37)20-25(40)22-38-31-10-4-1-7-27(31)28-8-2-5-11-32(28)38/h1-14,19,25-26,40-41H,15-18,20-23H2
InChIKeyVHVJBTKSEFANSC-UHFFFAOYSA-N
XLogP5.70
TPSA56.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.58
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)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

Related Compounds

(2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 92764423
4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid
CID 69284445
1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 66741784
1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 2851937
(2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707929
(2S)-1-[4-[(2S)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707925
1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 171985372
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 981054
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 138107609
(2R)-1-(3,6-dibromocarbazol-9-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
CID 1097693
3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propanoic acid
CID 166554678
1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 21234903

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol (CID 3098890) is 1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol is OC(CN1CCN(CC(O)Cn2c3ccccc3c3cc(Br)ccc32)CC1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol?
The InChIKey is VHVJBTKSEFANSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35BrN4O2/c35-24-13-14-34-30(19-24)29-9-3-6-12-33(29)39(34)23-26(41)21-37-17-15-36(16-18-37)20-25(40)22-38-31-10-4-1-7-27(31)28-8-2-5-11-32(28)38/h1-14,19,25-26,40-41H,15-18,20-23H2.
What are the key properties of 1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol?
1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol has a molecular weight of 611.58 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3098890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).