N-[3-(3,6-dibromocarbazol-9-yl)-2-methoxypropyl]-3-methoxyaniline

C23H22Br2N2O2 — CID 46853449

IUPACN-[3-(3,6-dibromocarbazol-9-yl)-2-methoxypropyl]-3-methoxyaniline
SMILESCOc1cccc(NCC(Cn2c3ccc(Br)cc3c3cc(Br)ccc32)OC)c1
InChIInChI=1S/C23H22Br2N2O2/c1-28-18-5-3-4-17(12-18)26-13-19(29-2)14-27-22-8-6-15(24)10-20(22)21-11-16(25)7-9-23(21)27/h3-12,19,26H,13-14H2,1-2H3
InChIKeyHEULICAEZQDWSU-UHFFFAOYSA-N
MW518.25 g/mol
LogP6.46
Rot. Bonds7

About N-[3-(3,6-dibromocarbazol-9-yl)-2-methoxypropyl]-3-methoxyaniline

N-[3-(3,6-dibromocarbazol-9-yl)-2-methoxypropyl]-3-methoxyaniline (PubChem CID 46853449) has the molecular formula C23H22Br2N2O2 and a molecular weight of 518.25 g/mol. Its IUPAC name is N-[3-(3,6-dibromocarbazol-9-yl)-2-methoxypropyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[3-(3,6-dibromocarbazol-9-yl)-2-methoxypropyl]-3-methoxyaniline
PubChem CID46853449
Molecular FormulaC23H22Br2N2O2
Molecular Weight518.25 g/mol
Exact Mass516.00
IUPAC NameN-[3-(3,6-dibromocarbazol-9-yl)-2-methoxypropyl]-3-methoxyaniline
SMILESCOc1cccc(NCC(Cn2c3ccc(Br)cc3c3cc(Br)ccc32)OC)c1
InChIInChI=1S/C23H22Br2N2O2/c1-28-18-5-3-4-17(12-18)26-13-19(29-2)14-27-22-8-6-15(24)10-20(22)21-11-16(25)7-9-23(21)27/h3-12,19,26H,13-14H2,1-2H3
InChIKeyHEULICAEZQDWSU-UHFFFAOYSA-N
XLogP6.46
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.25
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(3,6-dibromocarbazol-9-yl)-2-methoxypropyl]-3-methoxyaniline 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 N-[3-(3,6-dibromocarbazol-9-yl)-2-methoxypropyl]-3-methoxyaniline?
The IUPAC name of N-[3-(3,6-dibromocarbazol-9-yl)-2-methoxypropyl]-3-methoxyaniline (CID 46853449) is N-[3-(3,6-dibromocarbazol-9-yl)-2-methoxypropyl]-3-methoxyaniline.
What is the SMILES notation for N-[3-(3,6-dibromocarbazol-9-yl)-2-methoxypropyl]-3-methoxyaniline?
The canonical SMILES for N-[3-(3,6-dibromocarbazol-9-yl)-2-methoxypropyl]-3-methoxyaniline is COc1cccc(NCC(Cn2c3ccc(Br)cc3c3cc(Br)ccc32)OC)c1.
What is the InChIKey of N-[3-(3,6-dibromocarbazol-9-yl)-2-methoxypropyl]-3-methoxyaniline?
The InChIKey is HEULICAEZQDWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Br2N2O2/c1-28-18-5-3-4-17(12-18)26-13-19(29-2)14-27-22-8-6-15(24)10-20(22)21-11-16(25)7-9-23(21)27/h3-12,19,26H,13-14H2,1-2H3.
What are the key properties of N-[3-(3,6-dibromocarbazol-9-yl)-2-methoxypropyl]-3-methoxyaniline?
N-[3-(3,6-dibromocarbazol-9-yl)-2-methoxypropyl]-3-methoxyaniline has a molecular weight of 518.25 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,6-dibromocarbazol-9-yl)-2-methoxypropyl]-3-methoxyaniline is sourced from PubChem (CID 46853449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).