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

C34H32Br4N4O2 — CID 2729020

IUPAC1-(3,6-dibromocarbazol-9-yl)-3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C34H32Br4N4O2/c35-21-1-5-31-27(13-21)28-14-22(36)2-6-32(28)41(31)19-25(43)17-39-9-11-40(12-10-39)18-26(44)20-42-33-7-3-23(37)15-29(33)30-16-24(38)4-8-34(30)42/h1-8,13-16,25-26,43-44H,9-12,17-20H2
InChIKeyJLVIBXZXLSSJGK-UHFFFAOYSA-N
MW848.27 g/mol
LogP7.99
Rot. Bonds8

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

1-(3,6-dibromocarbazol-9-yl)-3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol (PubChem CID 2729020) has the molecular formula C34H32Br4N4O2 and a molecular weight of 848.27 g/mol. Its IUPAC name is 1-(3,6-dibromocarbazol-9-yl)-3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dibromocarbazol-9-yl)-3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
PubChem CID2729020
Molecular FormulaC34H32Br4N4O2
Molecular Weight848.27 g/mol
Exact Mass843.93
IUPAC Name1-(3,6-dibromocarbazol-9-yl)-3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C34H32Br4N4O2/c35-21-1-5-31-27(13-21)28-14-22(36)2-6-32(28)41(31)19-25(43)17-39-9-11-40(12-10-39)18-26(44)20-42-33-7-3-23(37)15-29(33)30-16-24(38)4-8-34(30)42/h1-8,13-16,25-26,43-44H,9-12,17-20H2
InChIKeyJLVIBXZXLSSJGK-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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol (CID 2729020) is 1-(3,6-dibromocarbazol-9-yl)-3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(3,6-dibromocarbazol-9-yl)-3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(3,6-dibromocarbazol-9-yl)-3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol is OC(CN1CCN(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-(3,6-dibromocarbazol-9-yl)-3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The InChIKey is JLVIBXZXLSSJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Br4N4O2/c35-21-1-5-31-27(13-21)28-14-22(36)2-6-32(28)41(31)19-25(43)17-39-9-11-40(12-10-39)18-26(44)20-42-33-7-3-23(37)15-29(33)30-16-24(38)4-8-34(30)42/h1-8,13-16,25-26,43-44H,9-12,17-20H2.
What are the key properties of 1-(3,6-dibromocarbazol-9-yl)-3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
1-(3,6-dibromocarbazol-9-yl)-3-[4-[3-(3,6-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-(3,6-dibromocarbazol-9-yl)-3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 2729020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).