1-[4-[2-hydroxy-3-(1,3,6-tribromocarbazol-9-yl)propyl]piperazin-1-yl]-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dihydrochloride

C34H32Br6Cl2N4O2 — CID 2775788

IUPAC1-[4-[2-hydroxy-3-(1,3,6-tribromocarbazol-9-yl)propyl]piperazin-1-yl]-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dihydrochloride
SMILESCl.Cl.OC(CN1CCN(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)cc(Br)c32)CC1)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21
InChIInChI=1S/C34H30Br6N4O2.2ClH/c35-19-1-3-31-25(9-19)27-11-21(37)13-29(39)33(27)43(31)17-23(45)15-41-5-7-42(8-6-41)16-24(46)18-44-32-4-2-20(36)10-26(32)28-12-22(38)14-30(40)34(28)44;;/h1-4,9-14,23-24,45-46H,5-8,15-18H2;2*1H
InChIKeyLLMAGSNFJNZMKV-UHFFFAOYSA-N
MW1078.99 g/mol
LogP10.36
Rot. Bonds8

About 1-[4-[2-hydroxy-3-(1,3,6-tribromocarbazol-9-yl)propyl]piperazin-1-yl]-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dihydrochloride

1-[4-[2-hydroxy-3-(1,3,6-tribromocarbazol-9-yl)propyl]piperazin-1-yl]-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dihydrochloride (PubChem CID 2775788) has the molecular formula C34H32Br6Cl2N4O2 and a molecular weight of 1078.99 g/mol. Its IUPAC name is 1-[4-[2-hydroxy-3-(1,3,6-tribromocarbazol-9-yl)propyl]piperazin-1-yl]-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[4-[2-hydroxy-3-(1,3,6-tribromocarbazol-9-yl)propyl]piperazin-1-yl]-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dihydrochloride
PubChem CID2775788
Molecular FormulaC34H32Br6Cl2N4O2
Molecular Weight1078.99 g/mol
Exact Mass1071.70
IUPAC Name1-[4-[2-hydroxy-3-(1,3,6-tribromocarbazol-9-yl)propyl]piperazin-1-yl]-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dihydrochloride
SMILESCl.Cl.OC(CN1CCN(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)cc(Br)c32)CC1)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21
InChIInChI=1S/C34H30Br6N4O2.2ClH/c35-19-1-3-31-25(9-19)27-11-21(37)13-29(39)33(27)43(31)17-23(45)15-41-5-7-42(8-6-41)16-24(46)18-44-32-4-2-20(36)10-26(32)28-12-22(38)14-30(40)34(28)44;;/h1-4,9-14,23-24,45-46H,5-8,15-18H2;2*1H
InChIKeyLLMAGSNFJNZMKV-UHFFFAOYSA-N
XLogP10.36
TPSA56.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001078.99
LogP ≤ 510.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-hydroxy-3-(1,3,6-tribromocarbazol-9-yl)propyl]piperazin-1-yl]-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dihydrochloride?
The IUPAC name of 1-[4-[2-hydroxy-3-(1,3,6-tribromocarbazol-9-yl)propyl]piperazin-1-yl]-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dihydrochloride (CID 2775788) is 1-[4-[2-hydroxy-3-(1,3,6-tribromocarbazol-9-yl)propyl]piperazin-1-yl]-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[4-[2-hydroxy-3-(1,3,6-tribromocarbazol-9-yl)propyl]piperazin-1-yl]-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-[4-[2-hydroxy-3-(1,3,6-tribromocarbazol-9-yl)propyl]piperazin-1-yl]-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dihydrochloride is Cl.Cl.OC(CN1CCN(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)cc(Br)c32)CC1)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21.
What is the InChIKey of 1-[4-[2-hydroxy-3-(1,3,6-tribromocarbazol-9-yl)propyl]piperazin-1-yl]-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dihydrochloride?
The InChIKey is LLMAGSNFJNZMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30Br6N4O2.2ClH/c35-19-1-3-31-25(9-19)27-11-21(37)13-29(39)33(27)43(31)17-23(45)15-41-5-7-42(8-6-41)16-24(46)18-44-32-4-2-20(36)10-26(32)28-12-22(38)14-30(40)34(28)44;;/h1-4,9-14,23-24,45-46H,5-8,15-18H2;2*1H.
What are the key properties of 1-[4-[2-hydroxy-3-(1,3,6-tribromocarbazol-9-yl)propyl]piperazin-1-yl]-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dihydrochloride?
1-[4-[2-hydroxy-3-(1,3,6-tribromocarbazol-9-yl)propyl]piperazin-1-yl]-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dihydrochloride has a molecular weight of 1078.99 g/mol, XLogP of 10.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-hydroxy-3-(1,3,6-tribromocarbazol-9-yl)propyl]piperazin-1-yl]-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dihydrochloride is sourced from PubChem (CID 2775788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).