Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3h

C21H12FN3O2 — CID 5330726

IUPAC7-fluoro-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione
SMILESCN1C=CC2=C1C3=C(C=C2)C4=C(C5=C(N4)C=CC(=C5)F)C6=C3C(=O)NC6=O
InChIInChI=1S/C21H12FN3O2/c1-25-7-6-9-2-4-11-15(19(9)25)17-16(20(26)24-21(17)27)14-12-8-10(22)3-5-13(12)23-18(11)14/h2-8,23H,1H3,(H,24,26,27)
InChIKeyWCPMTUANGBJGLD-UHFFFAOYSA-N
MW357.30 g/mol
LogP3.60
Rot. Bonds

About Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3h

Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3h (PubChem CID 5330726) has the molecular formula C21H12FN3O2 and a molecular weight of 357.30 g/mol. Its IUPAC name is 7-fluoro-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione.

Molecular Properties

Compound NameIndolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3h
PubChem CID5330726
Molecular FormulaC21H12FN3O2
Molecular Weight357.30 g/mol
Exact Mass357.09
IUPAC Name7-fluoro-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione
SMILESCN1C=CC2=C1C3=C(C=C2)C4=C(C5=C(N4)C=CC(=C5)F)C6=C3C(=O)NC6=O
InChIInChI=1S/C21H12FN3O2/c1-25-7-6-9-2-4-11-15(19(9)25)17-16(20(26)24-21(17)27)14-12-8-10(22)3-5-13(12)23-18(11)14/h2-8,23H,1H3,(H,24,26,27)
InChIKeyWCPMTUANGBJGLD-UHFFFAOYSA-N
XLogP3.60
TPSA66.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity686

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Slv-310
CID 9888211
Iron oxide, spent
CID 5327711
2-[2-(1H-indol-3-yl)ethyl]-1H-Isoindole-1,3(2H)-dione
CID 288577
Arcyriaflavin A
CID 5327723
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CID 2399
Maleimide derivative, 12
CID 44263384
Bisindolylmaleimide III
CID 2398
5-((2-Aminoethyl)amino)-6-fluoro-3-(1H-pyrrol-2-YL)benzo(CD)indol-2(1H)-one
CID 447766
bisindolylmaleimide II
CID 2397

Frequently Asked Questions

What is the IUPAC name of Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3h?
The IUPAC name of Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3h (CID 5330726) is 7-fluoro-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione.
What is the SMILES notation for Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3h?
The canonical SMILES for Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3h is CN1C=CC2=C1C3=C(C=C2)C4=C(C5=C(N4)C=CC(=C5)F)C6=C3C(=O)NC6=O.
What is the InChIKey of Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3h?
The InChIKey is WCPMTUANGBJGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FN3O2/c1-25-7-6-9-2-4-11-15(19(9)25)17-16(20(26)24-21(17)27)14-12-8-10(22)3-5-13(12)23-18(11)14/h2-8,23H,1H3,(H,24,26,27).
What are the key properties of Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3h?
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3h has a molecular weight of 357.30 g/mol, XLogP of 3.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3h is sourced from PubChem (CID 5330726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).