1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol

C32H32N2O — CID 4532861

IUPAC1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol
SMILESCc1ccc(NCC(O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3cc(C)cc(C)c32)cc1
InChIInChI=1S/C32H32N2O/c1-22-14-16-27(17-15-22)33-20-28(35)21-34-31-24(3)18-23(2)19-29(31)30(25-10-6-4-7-11-25)32(34)26-12-8-5-9-13-26/h4-19,28,33,35H,20-21H2,1-3H3
InChIKeyRMGFQOMAISSRHZ-UHFFFAOYSA-N
MW460.62 g/mol
LogP7.37
Rot. Bonds7

About 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol

1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol (PubChem CID 4532861) has the molecular formula C32H32N2O and a molecular weight of 460.62 g/mol. Its IUPAC name is 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol
PubChem CID4532861
Molecular FormulaC32H32N2O
Molecular Weight460.62 g/mol
Exact Mass460.25
IUPAC Name1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol
SMILESCc1ccc(NCC(O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3cc(C)cc(C)c32)cc1
InChIInChI=1S/C32H32N2O/c1-22-14-16-27(17-15-22)33-20-28(35)21-34-31-24(3)18-23(2)19-29(31)30(25-10-6-4-7-11-25)32(34)26-12-8-5-9-13-26/h4-19,28,33,35H,20-21H2,1-3H3
InChIKeyRMGFQOMAISSRHZ-UHFFFAOYSA-N
XLogP7.37
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol?
The IUPAC name of 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol (CID 4532861) is 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol?
The canonical SMILES for 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol is Cc1ccc(NCC(O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3cc(C)cc(C)c32)cc1.
What is the InChIKey of 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol?
The InChIKey is RMGFQOMAISSRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O/c1-22-14-16-27(17-15-22)33-20-28(35)21-34-31-24(3)18-23(2)19-29(31)30(25-10-6-4-7-11-25)32(34)26-12-8-5-9-13-26/h4-19,28,33,35H,20-21H2,1-3H3.
What are the key properties of 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol?
1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol has a molecular weight of 460.62 g/mol, XLogP of 7.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-(4-methylanilino)propan-2-ol is sourced from PubChem (CID 4532861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).