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

C35H32N2O — CID 3579043

IUPAC1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
SMILESCc1ccc(NCC(O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)c(C)c1
InChIInChI=1S/C35H32N2O/c1-24-17-20-32(25(2)21-24)36-22-29(38)23-37-34(28-14-7-4-8-15-28)33(27-12-5-3-6-13-27)31-19-18-26-11-9-10-16-30(26)35(31)37/h3-21,29,36,38H,22-23H2,1-2H3
InChIKeyHOFCPBAQMMFYFC-UHFFFAOYSA-N
MW496.65 g/mol
LogP8.22
Rot. Bonds7

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

1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol (PubChem CID 3579043) has the molecular formula C35H32N2O and a molecular weight of 496.65 g/mol. Its IUPAC name is 1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
PubChem CID3579043
Molecular FormulaC35H32N2O
Molecular Weight496.65 g/mol
Exact Mass496.25
IUPAC Name1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
SMILESCc1ccc(NCC(O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)c(C)c1
InChIInChI=1S/C35H32N2O/c1-24-17-20-32(25(2)21-24)36-22-29(38)23-37-34(28-14-7-4-8-15-28)33(27-12-5-3-6-13-27)31-19-18-26-11-9-10-16-30(26)35(31)37/h3-21,29,36,38H,22-23H2,1-2H3
InChIKeyHOFCPBAQMMFYFC-UHFFFAOYSA-N
XLogP8.22
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 58.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
CID 21235184
(2S)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 35583248
1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol
CID 4532861
1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(1-phenylethylamino)propan-2-ol;hydrochloride
CID 163330945
(2S)-1-(2,4-dimethylanilino)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 51396677
(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol
CID 1036576
(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 28566412
(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
CID 98183195
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol
CID 1050322
1-(2,3-diphenylbenzo[g]indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 163330941
1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 17028268
(2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol
CID 41141115

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol?
The IUPAC name of 1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol (CID 3579043) is 1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol is Cc1ccc(NCC(O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol?
The InChIKey is HOFCPBAQMMFYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O/c1-24-17-20-32(25(2)21-24)36-22-29(38)23-37-34(28-14-7-4-8-15-28)33(27-12-5-3-6-13-27)31-19-18-26-11-9-10-16-30(26)35(31)37/h3-21,29,36,38H,22-23H2,1-2H3.
What are the key properties of 1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol?
1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol has a molecular weight of 496.65 g/mol, XLogP of 8.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol is sourced from PubChem (CID 3579043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).