1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol

C34H32Br4N4O2 — CID 171985372

IUPAC1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(CC(O)Cn2c3cc(Br)ccc3c3ccc(Br)cc32)CC1)Cn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C34H32Br4N4O2/c35-21-1-5-27-28-6-2-22(36)14-32(28)41(31(27)13-21)19-25(43)17-39-9-11-40(12-10-39)18-26(44)20-42-33-15-23(37)3-7-29(33)30-8-4-24(38)16-34(30)42/h1-8,13-16,25-26,43-44H,9-12,17-20H2
InChIKeyUEDHTZOZKIKTQP-UHFFFAOYSA-N
MW848.27 g/mol
LogP7.99
Rot. Bonds8

About 1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol

1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol (PubChem CID 171985372) has the molecular formula C34H32Br4N4O2 and a molecular weight of 848.27 g/mol. Its IUPAC name is 1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
PubChem CID171985372
Molecular FormulaC34H32Br4N4O2
Molecular Weight848.27 g/mol
Exact Mass843.93
IUPAC Name1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(CC(O)Cn2c3cc(Br)ccc3c3ccc(Br)cc32)CC1)Cn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C34H32Br4N4O2/c35-21-1-5-27-28-6-2-22(36)14-32(28)41(31(27)13-21)19-25(43)17-39-9-11-40(12-10-39)18-26(44)20-42-33-15-23(37)3-7-29(33)30-8-4-24(38)16-34(30)42/h1-8,13-16,25-26,43-44H,9-12,17-20H2
InChIKeyUEDHTZOZKIKTQP-UHFFFAOYSA-N
XLogP7.99
TPSA56.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.27
LogP ≤ 57.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-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
1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
CID 3098890
(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
(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
1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 2851937
3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propanoic acid
CID 166554678
4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid
CID 69284445
1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 21234903
(2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 997579
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 69282541

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol (CID 171985372) is 1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol is OC(CN1CCN(CC(O)Cn2c3cc(Br)ccc3c3ccc(Br)cc32)CC1)Cn1c2cc(Br)ccc2c2ccc(Br)cc21.
What is the InChIKey of 1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The InChIKey is UEDHTZOZKIKTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Br4N4O2/c35-21-1-5-27-28-6-2-22(36)14-32(28)41(31(27)13-21)19-25(43)17-39-9-11-40(12-10-39)18-26(44)20-42-33-15-23(37)3-7-29(33)30-8-4-24(38)16-34(30)42/h1-8,13-16,25-26,43-44H,9-12,17-20H2.
What are the key properties of 1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol has a molecular weight of 848.27 g/mol, XLogP of 7.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 171985372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).