1-(3,6-dibromocarbazol-9-yl)-3-(4-ethoxyanilino)propan-2-ol

C23H22Br2N2O2 — CID 2836209

IUPAC1-(3,6-dibromocarbazol-9-yl)-3-(4-ethoxyanilino)propan-2-ol
SMILESCCOc1ccc(NCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C23H22Br2N2O2/c1-2-29-19-7-5-17(6-8-19)26-13-18(28)14-27-22-9-3-15(24)11-20(22)21-12-16(25)4-10-23(21)27/h3-12,18,26,28H,2,13-14H2,1H3
InChIKeyGVPHPWUTLBUVGR-UHFFFAOYSA-N
MW518.25 g/mol
LogP6.19
Rot. Bonds7

About 1-(3,6-dibromocarbazol-9-yl)-3-(4-ethoxyanilino)propan-2-ol

1-(3,6-dibromocarbazol-9-yl)-3-(4-ethoxyanilino)propan-2-ol (PubChem CID 2836209) has the molecular formula C23H22Br2N2O2 and a molecular weight of 518.25 g/mol. Its IUPAC name is 1-(3,6-dibromocarbazol-9-yl)-3-(4-ethoxyanilino)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dibromocarbazol-9-yl)-3-(4-ethoxyanilino)propan-2-ol
PubChem CID2836209
Molecular FormulaC23H22Br2N2O2
Molecular Weight518.25 g/mol
Exact Mass516.00
IUPAC Name1-(3,6-dibromocarbazol-9-yl)-3-(4-ethoxyanilino)propan-2-ol
SMILESCCOc1ccc(NCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C23H22Br2N2O2/c1-2-29-19-7-5-17(6-8-19)26-13-18(28)14-27-22-9-3-15(24)11-20(22)21-12-16(25)4-10-23(21)27/h3-12,18,26,28H,2,13-14H2,1H3
InChIKeyGVPHPWUTLBUVGR-UHFFFAOYSA-N
XLogP6.19
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.25
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-(4-ethoxyanilino)propan-2-ol?
The IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-(4-ethoxyanilino)propan-2-ol (CID 2836209) is 1-(3,6-dibromocarbazol-9-yl)-3-(4-ethoxyanilino)propan-2-ol.
What is the SMILES notation for 1-(3,6-dibromocarbazol-9-yl)-3-(4-ethoxyanilino)propan-2-ol?
The canonical SMILES for 1-(3,6-dibromocarbazol-9-yl)-3-(4-ethoxyanilino)propan-2-ol is CCOc1ccc(NCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1.
What is the InChIKey of 1-(3,6-dibromocarbazol-9-yl)-3-(4-ethoxyanilino)propan-2-ol?
The InChIKey is GVPHPWUTLBUVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Br2N2O2/c1-2-29-19-7-5-17(6-8-19)26-13-18(28)14-27-22-9-3-15(24)11-20(22)21-12-16(25)4-10-23(21)27/h3-12,18,26,28H,2,13-14H2,1H3.
What are the key properties of 1-(3,6-dibromocarbazol-9-yl)-3-(4-ethoxyanilino)propan-2-ol?
1-(3,6-dibromocarbazol-9-yl)-3-(4-ethoxyanilino)propan-2-ol has a molecular weight of 518.25 g/mol, XLogP of 6.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dibromocarbazol-9-yl)-3-(4-ethoxyanilino)propan-2-ol is sourced from PubChem (CID 2836209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).