5-(6-pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole

C28H26N4 — CID 122186418

IUPAC5-(6-pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole
SMILESc1ccc2c(c1)c1cnccc1n2CCCCCCn1c2ccccc2c2cnccc21
InChIInChI=1S/C28H26N4/c1(7-17-31-25-11-5-3-9-21(25)23-19-29-15-13-27(23)31)2-8-18-32-26-12-6-4-10-22(26)24-20-30-16-14-28(24)32/h3-6,9-16,19-20H,1-2,7-8,17-18H2
InChIKeyOPFRBMAAOMJVSP-UHFFFAOYSA-N
MW418.54 g/mol
LogP6.95
Rot. Bonds7

About 5-(6-pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole

5-(6-pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole (PubChem CID 122186418) has the molecular formula C28H26N4 and a molecular weight of 418.54 g/mol. Its IUPAC name is 5-(6-pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-(6-pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole
PubChem CID122186418
Molecular FormulaC28H26N4
Molecular Weight418.54 g/mol
Exact Mass418.22
IUPAC Name5-(6-pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole
SMILESc1ccc2c(c1)c1cnccc1n2CCCCCCn1c2ccccc2c2cnccc21
InChIInChI=1S/C28H26N4/c1(7-17-31-25-11-5-3-9-21(25)23-19-29-15-13-27(23)31)2-8-18-32-26-12-6-4-10-22(26)24-20-30-16-14-28(24)32/h3-6,9-16,19-20H,1-2,7-8,17-18H2
InChIKeyOPFRBMAAOMJVSP-UHFFFAOYSA-N
XLogP6.95
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.95
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 5-(6-pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole?
The IUPAC name of 5-(6-pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole (CID 122186418) is 5-(6-pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole.
What is the SMILES notation for 5-(6-pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole?
The canonical SMILES for 5-(6-pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole is c1ccc2c(c1)c1cnccc1n2CCCCCCn1c2ccccc2c2cnccc21.
What is the InChIKey of 5-(6-pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole?
The InChIKey is OPFRBMAAOMJVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4/c1(7-17-31-25-11-5-3-9-21(25)23-19-29-15-13-27(23)31)2-8-18-32-26-12-6-4-10-22(26)24-20-30-16-14-28(24)32/h3-6,9-16,19-20H,1-2,7-8,17-18H2.
What are the key properties of 5-(6-pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole?
5-(6-pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole has a molecular weight of 418.54 g/mol, XLogP of 6.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole is sourced from PubChem (CID 122186418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).