(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol

C32H33N3O — CID 28566412

IUPAC(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(C[C@@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)CC1
InChIInChI=1S/C32H33N3O/c1-33-18-20-34(21-19-33)22-27(36)23-35-31(26-13-6-3-7-14-26)30(25-11-4-2-5-12-25)29-17-16-24-10-8-9-15-28(24)32(29)35/h2-17,27,36H,18-23H2,1H3/t27-/m1/s1
InChIKeyNBKRBUWBGYONDF-HHHXNRCGSA-N
MW475.64 g/mol
LogP5.74
Rot. Bonds6

About (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol

(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 28566412) has the molecular formula C32H33N3O and a molecular weight of 475.64 g/mol. Its IUPAC name is (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID28566412
Molecular FormulaC32H33N3O
Molecular Weight475.64 g/mol
Exact Mass475.26
IUPAC Name(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(C[C@@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)CC1
InChIInChI=1S/C32H33N3O/c1-33-18-20-34(21-19-33)22-27(36)23-35-31(26-13-6-3-7-14-26)30(25-11-4-2-5-12-25)29-17-16-24-10-8-9-15-28(24)32(29)35/h2-17,27,36H,18-23H2,1H3/t27-/m1/s1
InChIKeyNBKRBUWBGYONDF-HHHXNRCGSA-N
XLogP5.74
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol with MolForge

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Related Compounds

9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
1-(9H-carbazol-9-yl)-3-(naphthalen-1-ylamino)propan-2-ol
CID 2836198
1-(2,3-dimethyl-1H-indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 4229169
1-(4-Benzyl-piperazin-1-yl)-3-carbazol-9-yl-propan-2-ol
CID 2841332
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfonamide
CID 3738563
1-(2,3-Diphenylindolyl)-3-[4-benzylpiperazinyl]propan-2-ol
CID 4055631
1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
CID 5719458
1-(piperidin-1-yl)-3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propan-2-ol
CID 2861437
1-(4-Benzyl-piperazin-1-yl)-3-(5-methyl-2,3-diphenyl-indol-1-yl)-propan-2-ol
CID 2855218
1-(4-Benzylpiperazin-1-yl)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol
CID 3119518
1-(5-Methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 44522005
1-(9H-carbazol-9-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2861739

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 28566412) is (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol is CN1CCN(C[C@@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)CC1.
What is the InChIKey of (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is NBKRBUWBGYONDF-HHHXNRCGSA-N. The full InChI is InChI=1S/C32H33N3O/c1-33-18-20-34(21-19-33)22-27(36)23-35-31(26-13-6-3-7-14-26)30(25-11-4-2-5-12-25)29-17-16-24-10-8-9-15-28(24)32(29)35/h2-17,27,36H,18-23H2,1H3/t27-/m1/s1.
What are the key properties of (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol?
(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 475.64 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 28566412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).