5-bromo-3-[(5-bromo-1-pentylindol-3-yl)-(4-fluorophenyl)methyl]-1-pentylindole

C33H35Br2FN2 — CID 73356897

IUPAC5-bromo-3-[(5-bromo-1-pentylindol-3-yl)-(4-fluorophenyl)methyl]-1-pentylindole
SMILESCCCCCn1cc(C(c2ccc(F)cc2)c2cn(CCCCC)c3ccc(Br)cc23)c2cc(Br)ccc21
InChIInChI=1S/C33H35Br2FN2/c1-3-5-7-17-37-21-29(27-19-24(34)11-15-31(27)37)33(23-9-13-26(36)14-10-23)30-22-38(18-8-6-4-2)32-16-12-25(35)20-28(30)32/h9-16,19-22,33H,3-8,17-18H2,1-2H3
InChIKeyMBJKZSQFMUAFJH-UHFFFAOYSA-N
MW638.46 g/mol
LogP10.82
Rot. Bonds11

About 5-bromo-3-[(5-bromo-1-pentylindol-3-yl)-(4-fluorophenyl)methyl]-1-pentylindole

5-bromo-3-[(5-bromo-1-pentylindol-3-yl)-(4-fluorophenyl)methyl]-1-pentylindole (PubChem CID 73356897) has the molecular formula C33H35Br2FN2 and a molecular weight of 638.46 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-1-pentylindol-3-yl)-(4-fluorophenyl)methyl]-1-pentylindole.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-1-pentylindol-3-yl)-(4-fluorophenyl)methyl]-1-pentylindole
PubChem CID73356897
Molecular FormulaC33H35Br2FN2
Molecular Weight638.46 g/mol
Exact Mass636.12
IUPAC Name5-bromo-3-[(5-bromo-1-pentylindol-3-yl)-(4-fluorophenyl)methyl]-1-pentylindole
SMILESCCCCCn1cc(C(c2ccc(F)cc2)c2cn(CCCCC)c3ccc(Br)cc23)c2cc(Br)ccc21
InChIInChI=1S/C33H35Br2FN2/c1-3-5-7-17-37-21-29(27-19-24(34)11-15-31(27)37)33(23-9-13-26(36)14-10-23)30-22-38(18-8-6-4-2)32-16-12-25(35)20-28(30)32/h9-16,19-22,33H,3-8,17-18H2,1-2H3
InChIKeyMBJKZSQFMUAFJH-UHFFFAOYSA-N
XLogP10.82
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.46
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-bromo-3-[(5-bromo-1-pentylindol-3-yl)-(4-fluorophenyl)methyl]-1-pentylindole?
The IUPAC name of 5-bromo-3-[(5-bromo-1-pentylindol-3-yl)-(4-fluorophenyl)methyl]-1-pentylindole (CID 73356897) is 5-bromo-3-[(5-bromo-1-pentylindol-3-yl)-(4-fluorophenyl)methyl]-1-pentylindole.
What is the SMILES notation for 5-bromo-3-[(5-bromo-1-pentylindol-3-yl)-(4-fluorophenyl)methyl]-1-pentylindole?
The canonical SMILES for 5-bromo-3-[(5-bromo-1-pentylindol-3-yl)-(4-fluorophenyl)methyl]-1-pentylindole is CCCCCn1cc(C(c2ccc(F)cc2)c2cn(CCCCC)c3ccc(Br)cc23)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3-[(5-bromo-1-pentylindol-3-yl)-(4-fluorophenyl)methyl]-1-pentylindole?
The InChIKey is MBJKZSQFMUAFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35Br2FN2/c1-3-5-7-17-37-21-29(27-19-24(34)11-15-31(27)37)33(23-9-13-26(36)14-10-23)30-22-38(18-8-6-4-2)32-16-12-25(35)20-28(30)32/h9-16,19-22,33H,3-8,17-18H2,1-2H3.
What are the key properties of 5-bromo-3-[(5-bromo-1-pentylindol-3-yl)-(4-fluorophenyl)methyl]-1-pentylindole?
5-bromo-3-[(5-bromo-1-pentylindol-3-yl)-(4-fluorophenyl)methyl]-1-pentylindole has a molecular weight of 638.46 g/mol, XLogP of 10.82, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-bromo-1-pentylindol-3-yl)-(4-fluorophenyl)methyl]-1-pentylindole is sourced from PubChem (CID 73356897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).