(2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol

C35H32N2O — CID 35583248

IUPAC(2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@@H](NC[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)c1ccccc1
InChIInChI=1S/C35H32N2O/c1-25(26-13-5-2-6-14-26)36-23-30(38)24-37-34(29-18-9-4-10-19-29)33(28-16-7-3-8-17-28)32-22-21-27-15-11-12-20-31(27)35(32)37/h2-22,25,30,36,38H,23-24H2,1H3/t25-,30+/m1/s1
InChIKeyCXYFXSXIQABKFG-RNAHPLFWSA-N
MW496.65 g/mol
LogP7.84
Rot. Bonds8

About (2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol

(2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol (PubChem CID 35583248) has the molecular formula C35H32N2O and a molecular weight of 496.65 g/mol. Its IUPAC name is (2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
PubChem CID35583248
Molecular FormulaC35H32N2O
Molecular Weight496.65 g/mol
Exact Mass496.25
IUPAC Name(2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@@H](NC[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)c1ccccc1
InChIInChI=1S/C35H32N2O/c1-25(26-13-5-2-6-14-26)36-23-30(38)24-37-34(29-18-9-4-10-19-29)33(28-16-7-3-8-17-28)32-22-21-27-15-11-12-20-31(27)35(32)37/h2-22,25,30,36,38H,23-24H2,1H3/t25-,30+/m1/s1
InChIKeyCXYFXSXIQABKFG-RNAHPLFWSA-N
XLogP7.84
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride
CID 163330945
(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 28566412
1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
CID 3579043
1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
CID 21235184
(2R)-1-carbazol-9-yl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 2368013
1-carbazol-9-yl-3-(1-phenylethylamino)propan-2-ol
CID 3635355
(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol
CID 1036576
1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
CID 4117492
1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 163330941
(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
CID 98183195
1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 17028268
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol (CID 35583248) is (2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol is C[C@@H](NC[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)c1ccccc1.
What is the InChIKey of (2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The InChIKey is CXYFXSXIQABKFG-RNAHPLFWSA-N. The full InChI is InChI=1S/C35H32N2O/c1-25(26-13-5-2-6-14-26)36-23-30(38)24-37-34(29-18-9-4-10-19-29)33(28-16-7-3-8-17-28)32-22-21-27-15-11-12-20-31(27)35(32)37/h2-22,25,30,36,38H,23-24H2,1H3/t25-,30+/m1/s1.
What are the key properties of (2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
(2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol has a molecular weight of 496.65 g/mol, XLogP of 7.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol is sourced from PubChem (CID 35583248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).