5-(8-pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole

C30H30N4 — CID 122186420

IUPAC5-(8-pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole
SMILESc1ccc2c(c1)c1cnccc1n2CCCCCCCCn1c2ccccc2c2cnccc21
InChIInChI=1S/C30H30N4/c1(3-9-19-33-27-13-7-5-11-23(27)25-21-31-17-15-29(25)33)2-4-10-20-34-28-14-8-6-12-24(28)26-22-32-18-16-30(26)34/h5-8,11-18,21-22H,1-4,9-10,19-20H2
InChIKeyJRWBNECKRJFWHV-UHFFFAOYSA-N
MW446.60 g/mol
LogP7.73
Rot. Bonds9

About 5-(8-pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole

5-(8-pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole (PubChem CID 122186420) has the molecular formula C30H30N4 and a molecular weight of 446.60 g/mol. Its IUPAC name is 5-(8-pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-(8-pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole
PubChem CID122186420
Molecular FormulaC30H30N4
Molecular Weight446.60 g/mol
Exact Mass446.25
IUPAC Name5-(8-pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole
SMILESc1ccc2c(c1)c1cnccc1n2CCCCCCCCn1c2ccccc2c2cnccc21
InChIInChI=1S/C30H30N4/c1(3-9-19-33-27-13-7-5-11-23(27)25-21-31-17-15-29(25)33)2-4-10-20-34-28-14-8-6-12-24(28)26-22-32-18-16-30(26)34/h5-8,11-18,21-22H,1-4,9-10,19-20H2
InChIKeyJRWBNECKRJFWHV-UHFFFAOYSA-N
XLogP7.73
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 57.73
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-(8-pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole?
The IUPAC name of 5-(8-pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole (CID 122186420) is 5-(8-pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole.
What is the SMILES notation for 5-(8-pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole?
The canonical SMILES for 5-(8-pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole is c1ccc2c(c1)c1cnccc1n2CCCCCCCCn1c2ccccc2c2cnccc21.
What is the InChIKey of 5-(8-pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole?
The InChIKey is JRWBNECKRJFWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4/c1(3-9-19-33-27-13-7-5-11-23(27)25-21-31-17-15-29(25)33)2-4-10-20-34-28-14-8-6-12-24(28)26-22-32-18-16-30(26)34/h5-8,11-18,21-22H,1-4,9-10,19-20H2.
What are the key properties of 5-(8-pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole?
5-(8-pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole has a molecular weight of 446.60 g/mol, XLogP of 7.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole is sourced from PubChem (CID 122186420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).