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

C34H35BrN4O2 — CID 92764423

IUPAC(2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
SMILESO[C@H](CN1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1)Cn1c2ccccc2c2cc(Br)ccc21
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/t25-,26+/m0/s1
InChIKeyVHVJBTKSEFANSC-IZZNHLLZSA-N
MW611.58 g/mol
LogP5.70
Rot. Bonds8

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

(2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol (PubChem CID 92764423) has the molecular formula C34H35BrN4O2 and a molecular weight of 611.58 g/mol. Its IUPAC name is (2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
PubChem CID92764423
Molecular FormulaC34H35BrN4O2
Molecular Weight611.58 g/mol
Exact Mass610.19
IUPAC Name(2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
SMILESO[C@H](CN1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1)Cn1c2ccccc2c2cc(Br)ccc21
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/t25-,26+/m0/s1
InChIKeyVHVJBTKSEFANSC-IZZNHLLZSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol (CID 92764423) is (2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol is O[C@H](CN1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1)Cn1c2ccccc2c2cc(Br)ccc21.
What is the InChIKey of (2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The InChIKey is VHVJBTKSEFANSC-IZZNHLLZSA-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/t25-,26+/m0/s1.
What are the key properties of (2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
(2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-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 (2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 92764423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).