1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol

C33H31F2N3O2 — CID 150367649

IUPAC1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)COC(Cn1c2ccccc2c2cc(F)ccc21)Cn1c2ccccc2c2cc(F)ccc21
InChIInChI=1S/C33H31F2N3O2/c34-21-9-13-32-28(15-21)26-5-1-3-7-30(26)37(32)18-25(40-20-24(39)17-36-23-11-12-23)19-38-31-8-4-2-6-27(31)29-16-22(35)10-14-33(29)38/h1-10,13-16,23-25,36,39H,11-12,17-20H2
InChIKeyGXBCHHFOHYBVGG-UHFFFAOYSA-N
MW539.63 g/mol
LogP6.38
Rot. Bonds10

About 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol

1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol (PubChem CID 150367649) has the molecular formula C33H31F2N3O2 and a molecular weight of 539.63 g/mol. Its IUPAC name is 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol.

Molecular Properties

Compound Name1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol
PubChem CID150367649
Molecular FormulaC33H31F2N3O2
Molecular Weight539.63 g/mol
Exact Mass539.24
IUPAC Name1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)COC(Cn1c2ccccc2c2cc(F)ccc21)Cn1c2ccccc2c2cc(F)ccc21
InChIInChI=1S/C33H31F2N3O2/c34-21-9-13-32-28(15-21)26-5-1-3-7-30(26)37(32)18-25(40-20-24(39)17-36-23-11-12-23)19-38-31-8-4-2-6-27(31)29-16-22(35)10-14-33(29)38/h1-10,13-16,23-25,36,39H,11-12,17-20H2
InChIKeyGXBCHHFOHYBVGG-UHFFFAOYSA-N
XLogP6.38
TPSA51.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.63
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol?
The IUPAC name of 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol (CID 150367649) is 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol.
What is the SMILES notation for 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol?
The canonical SMILES for 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol is OC(CNC1CC1)COC(Cn1c2ccccc2c2cc(F)ccc21)Cn1c2ccccc2c2cc(F)ccc21.
What is the InChIKey of 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol?
The InChIKey is GXBCHHFOHYBVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F2N3O2/c34-21-9-13-32-28(15-21)26-5-1-3-7-30(26)37(32)18-25(40-20-24(39)17-36-23-11-12-23)19-38-31-8-4-2-6-27(31)29-16-22(35)10-14-33(29)38/h1-10,13-16,23-25,36,39H,11-12,17-20H2.
What are the key properties of 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol?
1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol has a molecular weight of 539.63 g/mol, XLogP of 6.38, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol is sourced from PubChem (CID 150367649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).