5-fluoro-2-[4-methoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-ylidene]indole

C29H36FN3O — CID 70203078

IUPAC5-fluoro-2-[4-methoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-ylidene]indole
SMILESCCCCCCCCCCCc1ccc(C=c2[nH]c(=C3C=c4cc(F)ccc4=N3)cc2OC)[nH]1
InChIInChI=1S/C29H36FN3O/c1-3-4-5-6-7-8-9-10-11-12-23-14-15-24(31-23)19-28-29(34-2)20-27(33-28)26-18-21-17-22(30)13-16-25(21)32-26/h13-20,31,33H,3-12H2,1-2H3
InChIKeyFGJOJZCTYHFFFI-UHFFFAOYSA-N
MW461.63 g/mol
LogP4.61
Rot. Bonds12

About 5-fluoro-2-[4-methoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-ylidene]indole

5-fluoro-2-[4-methoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-ylidene]indole (PubChem CID 70203078) has the molecular formula C29H36FN3O and a molecular weight of 461.63 g/mol. Its IUPAC name is 5-fluoro-2-[4-methoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-ylidene]indole.

Molecular Properties

Compound Name5-fluoro-2-[4-methoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-ylidene]indole
PubChem CID70203078
Molecular FormulaC29H36FN3O
Molecular Weight461.63 g/mol
Exact Mass461.28
IUPAC Name5-fluoro-2-[4-methoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-ylidene]indole
SMILESCCCCCCCCCCCc1ccc(C=c2[nH]c(=C3C=c4cc(F)ccc4=N3)cc2OC)[nH]1
InChIInChI=1S/C29H36FN3O/c1-3-4-5-6-7-8-9-10-11-12-23-14-15-24(31-23)19-28-29(34-2)20-27(33-28)26-18-21-17-22(30)13-16-25(21)32-26/h13-20,31,33H,3-12H2,1-2H3
InChIKeyFGJOJZCTYHFFFI-UHFFFAOYSA-N
XLogP4.61
TPSA53.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-[4-methoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-ylidene]indole 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 5-fluoro-2-[4-methoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-ylidene]indole?
The IUPAC name of 5-fluoro-2-[4-methoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-ylidene]indole (CID 70203078) is 5-fluoro-2-[4-methoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-ylidene]indole.
What is the SMILES notation for 5-fluoro-2-[4-methoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-ylidene]indole?
The canonical SMILES for 5-fluoro-2-[4-methoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-ylidene]indole is CCCCCCCCCCCc1ccc(C=c2[nH]c(=C3C=c4cc(F)ccc4=N3)cc2OC)[nH]1.
What is the InChIKey of 5-fluoro-2-[4-methoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-ylidene]indole?
The InChIKey is FGJOJZCTYHFFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36FN3O/c1-3-4-5-6-7-8-9-10-11-12-23-14-15-24(31-23)19-28-29(34-2)20-27(33-28)26-18-21-17-22(30)13-16-25(21)32-26/h13-20,31,33H,3-12H2,1-2H3.
What are the key properties of 5-fluoro-2-[4-methoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-ylidene]indole?
5-fluoro-2-[4-methoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-ylidene]indole has a molecular weight of 461.63 g/mol, XLogP of 4.61, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-methoxy-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-ylidene]indole is sourced from PubChem (CID 70203078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).