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

C34H36N4O2 — CID 2729022

IUPAC1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C34H36N4O2/c39-25(23-37-31-13-5-1-9-27(31)28-10-2-6-14-32(28)37)21-35-17-19-36(20-18-35)22-26(40)24-38-33-15-7-3-11-29(33)30-12-4-8-16-34(30)38/h1-16,25-26,39-40H,17-24H2
InChIKeySDALHPNZAOPIDL-UHFFFAOYSA-N
MW532.69 g/mol
LogP4.94
Rot. Bonds8

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

1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol (PubChem CID 2729022) has the molecular formula C34H36N4O2 and a molecular weight of 532.69 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
PubChem CID2729022
Molecular FormulaC34H36N4O2
Molecular Weight532.69 g/mol
Exact Mass532.28
IUPAC Name1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C34H36N4O2/c39-25(23-37-31-13-5-1-9-27(31)28-10-2-6-14-32(28)37)21-35-17-19-36(20-18-35)22-26(40)24-38-33-15-7-3-11-29(33)30-12-4-8-16-34(30)38/h1-16,25-26,39-40H,17-24H2
InChIKeySDALHPNZAOPIDL-UHFFFAOYSA-N
XLogP4.94
TPSA56.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.69
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol (CID 2729022) is 1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol is OC(CN1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol?
The InChIKey is SDALHPNZAOPIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O2/c39-25(23-37-31-13-5-1-9-27(31)28-10-2-6-14-32(28)37)21-35-17-19-36(20-18-35)22-26(40)24-38-33-15-7-3-11-29(33)30-12-4-8-16-34(30)38/h1-16,25-26,39-40H,17-24H2.
What are the key properties of 1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol?
1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol has a molecular weight of 532.69 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 2729022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).