1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride

C35H33ClN2O — CID 163330945

IUPAC1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride
SMILESCC(NCC(O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)c1ccccc1.Cl
InChIInChI=1S/C35H32N2O.ClH/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;1H
InChIKeyUWFOWPMGYQQDTL-UHFFFAOYSA-N
MW533.12 g/mol
LogP8.26
Rot. Bonds8

About 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride

1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride (PubChem CID 163330945) has the molecular formula C35H33ClN2O and a molecular weight of 533.12 g/mol. Its IUPAC name is 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride
PubChem CID163330945
Molecular FormulaC35H33ClN2O
Molecular Weight533.12 g/mol
Exact Mass532.23
IUPAC Name1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride
SMILESCC(NCC(O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)c1ccccc1.Cl
InChIInChI=1S/C35H32N2O.ClH/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;1H
InChIKeyUWFOWPMGYQQDTL-UHFFFAOYSA-N
XLogP8.26
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.12
LogP ≤ 58.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 35583248
(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
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-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
(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 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride (CID 163330945) is 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride is CC(NCC(O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)c1ccccc1.Cl.
What is the InChIKey of 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
The InChIKey is UWFOWPMGYQQDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O.ClH/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;1H.
What are the key properties of 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride has a molecular weight of 533.12 g/mol, XLogP of 8.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 163330945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).