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

C26H20Br2N4 — CID 71539233

IUPAC6-bromo-9-[4-(6-bromopyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
SMILESBrc1ccc2c(c1)c1ccncc1n2CCCCn1c2ccc(Br)cc2c2ccncc21
InChIInChI=1S/C26H20Br2N4/c27-17-3-5-23-21(13-17)19-7-9-29-15-25(19)31(23)11-1-2-12-32-24-6-4-18(28)14-22(24)20-8-10-30-16-26(20)32/h3-10,13-16H,1-2,11-12H2
InChIKeyBPXNXWRNWGASAL-UHFFFAOYSA-N
MW548.28 g/mol
LogP7.70
Rot. Bonds5

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

6-bromo-9-[4-(6-bromopyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole (PubChem CID 71539233) has the molecular formula C26H20Br2N4 and a molecular weight of 548.28 g/mol. Its IUPAC name is 6-bromo-9-[4-(6-bromopyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-bromo-9-[4-(6-bromopyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
PubChem CID71539233
Molecular FormulaC26H20Br2N4
Molecular Weight548.28 g/mol
Exact Mass546.01
IUPAC Name6-bromo-9-[4-(6-bromopyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
SMILESBrc1ccc2c(c1)c1ccncc1n2CCCCn1c2ccc(Br)cc2c2ccncc21
InChIInChI=1S/C26H20Br2N4/c27-17-3-5-23-21(13-17)19-7-9-29-15-25(19)31(23)11-1-2-12-32-24-6-4-18(28)14-22(24)20-8-10-30-16-26(20)32/h3-10,13-16H,1-2,11-12H2
InChIKeyBPXNXWRNWGASAL-UHFFFAOYSA-N
XLogP7.70
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.28
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-bromo-9-[4-(6-bromopyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 162883
CID 162883
CID 5380465
CID 5380465
CID 44479463
CID 44479463
CID 46223338
CID 46223338
CID 10393386
CID 10393386
CID 285756
CID 285756
CID 2843443
CID 2843443
CID 46223113
CID 46223113
CID 46223112
CID 46223112
CID 46223339
CID 46223339
CID 122191607
CID 122191607
CID 145961968
CID 145961968

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-[4-(6-bromopyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole?
The IUPAC name of 6-bromo-9-[4-(6-bromopyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole (CID 71539233) is 6-bromo-9-[4-(6-bromopyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole.
What is the SMILES notation for 6-bromo-9-[4-(6-bromopyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole?
The canonical SMILES for 6-bromo-9-[4-(6-bromopyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole is Brc1ccc2c(c1)c1ccncc1n2CCCCn1c2ccc(Br)cc2c2ccncc21.
What is the InChIKey of 6-bromo-9-[4-(6-bromopyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole?
The InChIKey is BPXNXWRNWGASAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Br2N4/c27-17-3-5-23-21(13-17)19-7-9-29-15-25(19)31(23)11-1-2-12-32-24-6-4-18(28)14-22(24)20-8-10-30-16-26(20)32/h3-10,13-16H,1-2,11-12H2.
What are the key properties of 6-bromo-9-[4-(6-bromopyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole?
6-bromo-9-[4-(6-bromopyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole has a molecular weight of 548.28 g/mol, XLogP of 7.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-[4-(6-bromopyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole is sourced from PubChem (CID 71539233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).