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

C31H32N4 — CID 46223113

IUPAC9-(9-pyrido[3,4-b]indol-9-ylnonyl)pyrido[3,4-b]indole
SMILESc1ccc2c(c1)c1ccncc1n2CCCCCCCCCn1c2ccccc2c2ccncc21
InChIInChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-16-18-32-22-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-17-19-33-23-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
InChIKeyJJAATQLWMKLMJU-UHFFFAOYSA-N
MW460.63 g/mol
LogP8.12
Rot. Bonds10

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

9-(9-pyrido[3,4-b]indol-9-ylnonyl)pyrido[3,4-b]indole (PubChem CID 46223113) has the molecular formula C31H32N4 and a molecular weight of 460.63 g/mol. Its IUPAC name is 9-(9-pyrido[3,4-b]indol-9-ylnonyl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-(9-pyrido[3,4-b]indol-9-ylnonyl)pyrido[3,4-b]indole
PubChem CID46223113
Molecular FormulaC31H32N4
Molecular Weight460.63 g/mol
Exact Mass460.26
IUPAC Name9-(9-pyrido[3,4-b]indol-9-ylnonyl)pyrido[3,4-b]indole
SMILESc1ccc2c(c1)c1ccncc1n2CCCCCCCCCn1c2ccccc2c2ccncc21
InChIInChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-16-18-32-22-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-17-19-33-23-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
InChIKeyJJAATQLWMKLMJU-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 9-(9-pyrido[3,4-b]indol-9-ylnonyl)pyrido[3,4-b]indole?
The IUPAC name of 9-(9-pyrido[3,4-b]indol-9-ylnonyl)pyrido[3,4-b]indole (CID 46223113) is 9-(9-pyrido[3,4-b]indol-9-ylnonyl)pyrido[3,4-b]indole.
What is the SMILES notation for 9-(9-pyrido[3,4-b]indol-9-ylnonyl)pyrido[3,4-b]indole?
The canonical SMILES for 9-(9-pyrido[3,4-b]indol-9-ylnonyl)pyrido[3,4-b]indole is c1ccc2c(c1)c1ccncc1n2CCCCCCCCCn1c2ccccc2c2ccncc21.
What is the InChIKey of 9-(9-pyrido[3,4-b]indol-9-ylnonyl)pyrido[3,4-b]indole?
The InChIKey is JJAATQLWMKLMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-16-18-32-22-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-17-19-33-23-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2.
What are the key properties of 9-(9-pyrido[3,4-b]indol-9-ylnonyl)pyrido[3,4-b]indole?
9-(9-pyrido[3,4-b]indol-9-ylnonyl)pyrido[3,4-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 9-(9-pyrido[3,4-b]indol-9-ylnonyl)pyrido[3,4-b]indole is sourced from PubChem (CID 46223113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).