9-(4-pyrido[3,4-b]indol-9-ylbutyl)pyrido[3,4-b]indole

C26H22N4 — CID 71539191

IUPAC9-(4-pyrido[3,4-b]indol-9-ylbutyl)pyrido[3,4-b]indole
SMILESc1ccc2c(c1)c1ccncc1n2CCCCn1c2ccccc2c2ccncc21
InChIInChI=1S/C26H22N4/c1-3-9-23-19(7-1)21-11-13-27-17-25(21)29(23)15-5-6-16-30-24-10-4-2-8-20(24)22-12-14-28-18-26(22)30/h1-4,7-14,17-18H,5-6,15-16H2
InChIKeyLLWZNBAYFHMOHL-UHFFFAOYSA-N
MW390.49 g/mol
LogP6.17
Rot. Bonds5

About 9-(4-pyrido[3,4-b]indol-9-ylbutyl)pyrido[3,4-b]indole

9-(4-pyrido[3,4-b]indol-9-ylbutyl)pyrido[3,4-b]indole (PubChem CID 71539191) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is 9-(4-pyrido[3,4-b]indol-9-ylbutyl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-(4-pyrido[3,4-b]indol-9-ylbutyl)pyrido[3,4-b]indole
PubChem CID71539191
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC Name9-(4-pyrido[3,4-b]indol-9-ylbutyl)pyrido[3,4-b]indole
SMILESc1ccc2c(c1)c1ccncc1n2CCCCn1c2ccccc2c2ccncc21
InChIInChI=1S/C26H22N4/c1-3-9-23-19(7-1)21-11-13-27-17-25(21)29(23)15-5-6-16-30-24-10-4-2-8-20(24)22-12-14-28-18-26(22)30/h1-4,7-14,17-18H,5-6,15-16H2
InChIKeyLLWZNBAYFHMOHL-UHFFFAOYSA-N
XLogP6.17
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 56.17
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 9-(4-pyrido[3,4-b]indol-9-ylbutyl)pyrido[3,4-b]indole?
The IUPAC name of 9-(4-pyrido[3,4-b]indol-9-ylbutyl)pyrido[3,4-b]indole (CID 71539191) is 9-(4-pyrido[3,4-b]indol-9-ylbutyl)pyrido[3,4-b]indole.
What is the SMILES notation for 9-(4-pyrido[3,4-b]indol-9-ylbutyl)pyrido[3,4-b]indole?
The canonical SMILES for 9-(4-pyrido[3,4-b]indol-9-ylbutyl)pyrido[3,4-b]indole is c1ccc2c(c1)c1ccncc1n2CCCCn1c2ccccc2c2ccncc21.
What is the InChIKey of 9-(4-pyrido[3,4-b]indol-9-ylbutyl)pyrido[3,4-b]indole?
The InChIKey is LLWZNBAYFHMOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4/c1-3-9-23-19(7-1)21-11-13-27-17-25(21)29(23)15-5-6-16-30-24-10-4-2-8-20(24)22-12-14-28-18-26(22)30/h1-4,7-14,17-18H,5-6,15-16H2.
What are the key properties of 9-(4-pyrido[3,4-b]indol-9-ylbutyl)pyrido[3,4-b]indole?
9-(4-pyrido[3,4-b]indol-9-ylbutyl)pyrido[3,4-b]indole has a molecular weight of 390.49 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-pyrido[3,4-b]indol-9-ylbutyl)pyrido[3,4-b]indole is sourced from PubChem (CID 71539191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).