3-(2,10-difluoro-5,7-dimethylindolo[2,3-b]carbazol-6-yl)oxypropan-1-amine

C23H21F2N3O — CID 126738911

IUPAC3-(2,10-difluoro-5,7-dimethylindolo[2,3-b]carbazol-6-yl)oxypropan-1-amine
SMILESCn1c2ccc(F)cc2c2cc3c4cc(F)ccc4n(C)c3c(OCCCN)c21
InChIInChI=1S/C23H21F2N3O/c1-27-19-6-4-13(24)10-15(19)17-12-18-16-11-14(25)5-7-20(16)28(2)22(18)23(21(17)27)29-9-3-8-26/h4-7,10-12H,3,8-9,26H2,1-2H3
InChIKeyLPZZNIDZHIIXRF-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.98
Rot. Bonds4

About 3-(2,10-difluoro-5,7-dimethylindolo[2,3-b]carbazol-6-yl)oxypropan-1-amine

3-(2,10-difluoro-5,7-dimethylindolo[2,3-b]carbazol-6-yl)oxypropan-1-amine (PubChem CID 126738911) has the molecular formula C23H21F2N3O and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-(2,10-difluoro-5,7-dimethylindolo[2,3-b]carbazol-6-yl)oxypropan-1-amine.

Molecular Properties

Compound Name3-(2,10-difluoro-5,7-dimethylindolo[2,3-b]carbazol-6-yl)oxypropan-1-amine
PubChem CID126738911
Molecular FormulaC23H21F2N3O
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name3-(2,10-difluoro-5,7-dimethylindolo[2,3-b]carbazol-6-yl)oxypropan-1-amine
SMILESCn1c2ccc(F)cc2c2cc3c4cc(F)ccc4n(C)c3c(OCCCN)c21
InChIInChI=1S/C23H21F2N3O/c1-27-19-6-4-13(24)10-15(19)17-12-18-16-11-14(25)5-7-20(16)28(2)22(18)23(21(17)27)29-9-3-8-26/h4-7,10-12H,3,8-9,26H2,1-2H3
InChIKeyLPZZNIDZHIIXRF-UHFFFAOYSA-N
XLogP4.98
TPSA45.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,10-difluoro-5,7-dimethylindolo[2,3-b]carbazol-6-yl)oxypropan-1-amine?
The IUPAC name of 3-(2,10-difluoro-5,7-dimethylindolo[2,3-b]carbazol-6-yl)oxypropan-1-amine (CID 126738911) is 3-(2,10-difluoro-5,7-dimethylindolo[2,3-b]carbazol-6-yl)oxypropan-1-amine.
What is the SMILES notation for 3-(2,10-difluoro-5,7-dimethylindolo[2,3-b]carbazol-6-yl)oxypropan-1-amine?
The canonical SMILES for 3-(2,10-difluoro-5,7-dimethylindolo[2,3-b]carbazol-6-yl)oxypropan-1-amine is Cn1c2ccc(F)cc2c2cc3c4cc(F)ccc4n(C)c3c(OCCCN)c21.
What is the InChIKey of 3-(2,10-difluoro-5,7-dimethylindolo[2,3-b]carbazol-6-yl)oxypropan-1-amine?
The InChIKey is LPZZNIDZHIIXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O/c1-27-19-6-4-13(24)10-15(19)17-12-18-16-11-14(25)5-7-20(16)28(2)22(18)23(21(17)27)29-9-3-8-26/h4-7,10-12H,3,8-9,26H2,1-2H3.
What are the key properties of 3-(2,10-difluoro-5,7-dimethylindolo[2,3-b]carbazol-6-yl)oxypropan-1-amine?
3-(2,10-difluoro-5,7-dimethylindolo[2,3-b]carbazol-6-yl)oxypropan-1-amine has a molecular weight of 393.44 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,10-difluoro-5,7-dimethylindolo[2,3-b]carbazol-6-yl)oxypropan-1-amine is sourced from PubChem (CID 126738911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).