2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine

C23H21F2N3O — CID 59238945

IUPAC2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine
SMILESCOc1c2[nH]c3ccc(F)cc3c2cc2c3cc(F)ccc3n(CCN(C)C)c12
InChIInChI=1S/C23H21F2N3O/c1-27(2)8-9-28-20-7-5-14(25)11-16(20)18-12-17-15-10-13(24)4-6-19(15)26-21(17)23(29-3)22(18)28/h4-7,10-12,26H,8-9H2,1-3H3
InChIKeyLAFWWIGEBSFNCP-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.28
Rot. Bonds4

About 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine

2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine (PubChem CID 59238945) has the molecular formula C23H21F2N3O and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine
PubChem CID59238945
Molecular FormulaC23H21F2N3O
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine
SMILESCOc1c2[nH]c3ccc(F)cc3c2cc2c3cc(F)ccc3n(CCN(C)C)c12
InChIInChI=1S/C23H21F2N3O/c1-27(2)8-9-28-20-7-5-14(25)11-16(20)18-12-17-15-10-13(24)4-6-19(15)26-21(17)23(29-3)22(18)28/h4-7,10-12,26H,8-9H2,1-3H3
InChIKeyLAFWWIGEBSFNCP-UHFFFAOYSA-N
XLogP5.28
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine (CID 59238945) is 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine is COc1c2[nH]c3ccc(F)cc3c2cc2c3cc(F)ccc3n(CCN(C)C)c12.
What is the InChIKey of 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine?
The InChIKey is LAFWWIGEBSFNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O/c1-27(2)8-9-28-20-7-5-14(25)11-16(20)18-12-17-15-10-13(24)4-6-19(15)26-21(17)23(29-3)22(18)28/h4-7,10-12,26H,8-9H2,1-3H3.
What are the key properties of 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine?
2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine has a molecular weight of 393.44 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 59238945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).