8-bromo-9-[6-(8-bromopyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole

C28H24Br2N4 — CID 71575142

IUPAC8-bromo-9-[6-(8-bromopyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
SMILESBrc1cccc2c3ccncc3n(CCCCCCn3c4cnccc4c4cccc(Br)c43)c12
InChIInChI=1S/C28H24Br2N4/c29-23-9-5-7-21-19-11-13-31-17-25(19)33(27(21)23)15-3-1-2-4-16-34-26-18-32-14-12-20(26)22-8-6-10-24(30)28(22)34/h5-14,17-18H,1-4,15-16H2
InChIKeyARXJCSDOXLMBAY-UHFFFAOYSA-N
MW576.34 g/mol
LogP8.48
Rot. Bonds7

About 8-bromo-9-[6-(8-bromopyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole

8-bromo-9-[6-(8-bromopyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole (PubChem CID 71575142) has the molecular formula C28H24Br2N4 and a molecular weight of 576.34 g/mol. Its IUPAC name is 8-bromo-9-[6-(8-bromopyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name8-bromo-9-[6-(8-bromopyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
PubChem CID71575142
Molecular FormulaC28H24Br2N4
Molecular Weight576.34 g/mol
Exact Mass574.04
IUPAC Name8-bromo-9-[6-(8-bromopyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
SMILESBrc1cccc2c3ccncc3n(CCCCCCn3c4cnccc4c4cccc(Br)c43)c12
InChIInChI=1S/C28H24Br2N4/c29-23-9-5-7-21-19-11-13-31-17-25(19)33(27(21)23)15-3-1-2-4-16-34-26-18-32-14-12-20(26)22-8-6-10-24(30)28(22)34/h5-14,17-18H,1-4,15-16H2
InChIKeyARXJCSDOXLMBAY-UHFFFAOYSA-N
XLogP8.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.34
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 8-bromo-9-[6-(8-bromopyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole?
The IUPAC name of 8-bromo-9-[6-(8-bromopyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole (CID 71575142) is 8-bromo-9-[6-(8-bromopyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole.
What is the SMILES notation for 8-bromo-9-[6-(8-bromopyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole?
The canonical SMILES for 8-bromo-9-[6-(8-bromopyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole is Brc1cccc2c3ccncc3n(CCCCCCn3c4cnccc4c4cccc(Br)c43)c12.
What is the InChIKey of 8-bromo-9-[6-(8-bromopyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole?
The InChIKey is ARXJCSDOXLMBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Br2N4/c29-23-9-5-7-21-19-11-13-31-17-25(19)33(27(21)23)15-3-1-2-4-16-34-26-18-32-14-12-20(26)22-8-6-10-24(30)28(22)34/h5-14,17-18H,1-4,15-16H2.
What are the key properties of 8-bromo-9-[6-(8-bromopyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole?
8-bromo-9-[6-(8-bromopyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole has a molecular weight of 576.34 g/mol, XLogP of 8.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-9-[6-(8-bromopyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole is sourced from PubChem (CID 71575142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).