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

C34H32Br2Cl2N4O2 — CID 99707929

IUPAC(2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESO[C@H](CN1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C34H32Br2Cl2N4O2/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/t25-,26+/m1/s1
InChIKeyNSLBTBGUFUPTCR-FTJBHMTQSA-N
MW759.37 g/mol
LogP7.77
Rot. Bonds8

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

(2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (PubChem CID 99707929) has the molecular formula C34H32Br2Cl2N4O2 and a molecular weight of 759.37 g/mol. Its IUPAC name is (2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
PubChem CID99707929
Molecular FormulaC34H32Br2Cl2N4O2
Molecular Weight759.37 g/mol
Exact Mass756.03
IUPAC Name(2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESO[C@H](CN1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C34H32Br2Cl2N4O2/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/t25-,26+/m1/s1
InChIKeyNSLBTBGUFUPTCR-FTJBHMTQSA-N
XLogP7.77
TPSA56.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.37
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol with MolForge

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Related Compounds

(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
(2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 997579
(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
1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 2851937
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 981054
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 66742472
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 69282541
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 138107609
1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 2729028
3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propanoic acid
CID 166554678
1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 171985372

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The IUPAC name of (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) is (2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The canonical SMILES for (2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is O[C@H](CN1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of (2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The InChIKey is NSLBTBGUFUPTCR-FTJBHMTQSA-N. The full InChI is InChI=1S/C34H32Br2Cl2N4O2/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/t25-,26+/m1/s1.
What are the key properties of (2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
(2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol has a molecular weight of 759.37 g/mol, XLogP of 7.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 99707929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).