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

C32H28N2O2 — CID 1036576

IUPAC(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol
SMILESO[C@H](CNCc1ccco1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21
InChIInChI=1S/C32H28N2O2/c35-26(20-33-21-27-15-9-19-36-27)22-34-31(25-13-5-2-6-14-25)30(24-11-3-1-4-12-24)29-18-17-23-10-7-8-16-28(23)32(29)34/h1-19,26,33,35H,20-22H2/t26-/m1/s1
InChIKeyRYVUHZJKNGXKGM-AREMUKBSSA-N
MW472.59 g/mol
LogP6.87
Rot. Bonds8

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

(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol (PubChem CID 1036576) has the molecular formula C32H28N2O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol
PubChem CID1036576
Molecular FormulaC32H28N2O2
Molecular Weight472.59 g/mol
Exact Mass472.22
IUPAC Name(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol
SMILESO[C@H](CNCc1ccco1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21
InChIInChI=1S/C32H28N2O2/c35-26(20-33-21-27-15-9-19-36-27)22-34-31(25-13-5-2-6-14-25)30(24-11-3-1-4-12-24)29-18-17-23-10-7-8-16-28(23)32(29)34/h1-19,26,33,35H,20-22H2/t26-/m1/s1
InChIKeyRYVUHZJKNGXKGM-AREMUKBSSA-N
XLogP6.87
TPSA50.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(3,4-dimethoxyphenyl)ethylamino]-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
CID 98183195
(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 28566412
1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 17028268
(2R)-1-(furan-2-ylmethylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 7223566
(2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 35583856
1-[[(2R)-oxiran-2-yl]methyl]-2,3-diphenylbenzo[g]indole
CID 40553294
N-(furan-2-ylmethyl)-2,2-diphenylethanamine
CID 103603203
1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol
CID 3157338
1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 2738628
(2R)-1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 7221655
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol?
The IUPAC name of (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol (CID 1036576) is (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol is O[C@H](CNCc1ccco1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21.
What is the InChIKey of (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol?
The InChIKey is RYVUHZJKNGXKGM-AREMUKBSSA-N. The full InChI is InChI=1S/C32H28N2O2/c35-26(20-33-21-27-15-9-19-36-27)22-34-31(25-13-5-2-6-14-25)30(24-11-3-1-4-12-24)29-18-17-23-10-7-8-16-28(23)32(29)34/h1-19,26,33,35H,20-22H2/t26-/m1/s1.
What are the key properties of (2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol?
(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol has a molecular weight of 472.59 g/mol, XLogP of 6.87, 8 rotatable bonds, 2 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-(furan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 1036576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).