5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole

C26H30Br2N4 — CID 72734840

IUPAC5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole
SMILESBrc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(Br)cc45)CC3)c2c1
InChIInChI=1S/C26H30Br2N4/c27-21-5-7-25-23(15-21)19(17-29-25)3-1-9-31-11-13-32(14-12-31)10-2-4-20-18-30-26-8-6-22(28)16-24(20)26/h5-8,15-18,29-30H,1-4,9-14H2
InChIKeyRHVNIKMJBSVJBT-UHFFFAOYSA-N
MW558.36 g/mol
LogP6.36
Rot. Bonds8

About 5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole

5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole (PubChem CID 72734840) has the molecular formula C26H30Br2N4 and a molecular weight of 558.36 g/mol. Its IUPAC name is 5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole
PubChem CID72734840
Molecular FormulaC26H30Br2N4
Molecular Weight558.36 g/mol
Exact Mass556.08
IUPAC Name5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole
SMILESBrc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(Br)cc45)CC3)c2c1
InChIInChI=1S/C26H30Br2N4/c27-21-5-7-25-23(15-21)19(17-29-25)3-1-9-31-11-13-32(14-12-31)10-2-4-20-18-30-26-8-6-22(28)16-24(20)26/h5-8,15-18,29-30H,1-4,9-14H2
InChIKeyRHVNIKMJBSVJBT-UHFFFAOYSA-N
XLogP6.36
TPSA38.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.36
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole (CID 72734840) is 5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole is Brc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(Br)cc45)CC3)c2c1.
What is the InChIKey of 5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole?
The InChIKey is RHVNIKMJBSVJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Br2N4/c27-21-5-7-25-23(15-21)19(17-29-25)3-1-9-31-11-13-32(14-12-31)10-2-4-20-18-30-26-8-6-22(28)16-24(20)26/h5-8,15-18,29-30H,1-4,9-14H2.
What are the key properties of 5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole?
5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole has a molecular weight of 558.36 g/mol, XLogP of 6.36, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 72734840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).