5-(9-pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole

C31H32N4 — CID 122186421

IUPAC5-(9-pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole
SMILESc1ccc2c(c1)c1cnccc1n2CCCCCCCCCn1c2ccccc2c2cnccc21
InChIInChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-22-32-18-16-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-23-33-19-17-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
InChIKeyWIBZBHAULNIINQ-UHFFFAOYSA-N
MW460.63 g/mol
LogP8.12
Rot. Bonds10

About 5-(9-pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole

5-(9-pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole (PubChem CID 122186421) has the molecular formula C31H32N4 and a molecular weight of 460.63 g/mol. Its IUPAC name is 5-(9-pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-(9-pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole
PubChem CID122186421
Molecular FormulaC31H32N4
Molecular Weight460.63 g/mol
Exact Mass460.26
IUPAC Name5-(9-pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole
SMILESc1ccc2c(c1)c1cnccc1n2CCCCCCCCCn1c2ccccc2c2cnccc21
InChIInChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-22-32-18-16-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-23-33-19-17-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
InChIKeyWIBZBHAULNIINQ-UHFFFAOYSA-N
XLogP8.12
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.63
LogP ≤ 58.12
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-(9-pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole?
The IUPAC name of 5-(9-pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole (CID 122186421) is 5-(9-pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole.
What is the SMILES notation for 5-(9-pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole?
The canonical SMILES for 5-(9-pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole is c1ccc2c(c1)c1cnccc1n2CCCCCCCCCn1c2ccccc2c2cnccc21.
What is the InChIKey of 5-(9-pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole?
The InChIKey is WIBZBHAULNIINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-22-32-18-16-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-23-33-19-17-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2.
What are the key properties of 5-(9-pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole?
5-(9-pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole has a molecular weight of 460.63 g/mol, XLogP of 8.12, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole is sourced from PubChem (CID 122186421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).