1-pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole

C36H28N6 — CID 71539896

IUPAC1-pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
SMILESc1cncc(-c2nccc3c4ccccc4n(CCCCn4c5ccccc5c5ccnc(-c6cccnc6)c54)c23)c1
InChIInChI=1S/C36H28N6/c1-3-13-31-27(11-1)29-15-19-39-33(25-9-7-17-37-23-25)35(29)41(31)21-5-6-22-42-32-14-4-2-12-28(32)30-16-20-40-34(36(30)42)26-10-8-18-38-24-26/h1-4,7-20,23-24H,5-6,21-22H2
InChIKeyFBZVIWANPNPWBW-UHFFFAOYSA-N
MW544.66 g/mol
LogP8.30
Rot. Bonds7

About 1-pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole

1-pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole (PubChem CID 71539896) has the molecular formula C36H28N6 and a molecular weight of 544.66 g/mol. Its IUPAC name is 1-pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
PubChem CID71539896
Molecular FormulaC36H28N6
Molecular Weight544.66 g/mol
Exact Mass544.24
IUPAC Name1-pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
SMILESc1cncc(-c2nccc3c4ccccc4n(CCCCn4c5ccccc5c5ccnc(-c6cccnc6)c54)c23)c1
InChIInChI=1S/C36H28N6/c1-3-13-31-27(11-1)29-15-19-39-33(25-9-7-17-37-23-25)35(29)41(31)21-5-6-22-42-32-14-4-2-12-28(32)30-16-20-40-34(36(30)42)26-10-8-18-38-24-26/h1-4,7-20,23-24H,5-6,21-22H2
InChIKeyFBZVIWANPNPWBW-UHFFFAOYSA-N
XLogP8.30
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.66
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole?
The IUPAC name of 1-pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole (CID 71539896) is 1-pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole.
What is the SMILES notation for 1-pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole?
The canonical SMILES for 1-pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole is c1cncc(-c2nccc3c4ccccc4n(CCCCn4c5ccccc5c5ccnc(-c6cccnc6)c54)c23)c1.
What is the InChIKey of 1-pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole?
The InChIKey is FBZVIWANPNPWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N6/c1-3-13-31-27(11-1)29-15-19-39-33(25-9-7-17-37-23-25)35(29)41(31)21-5-6-22-42-32-14-4-2-12-28(32)30-16-20-40-34(36(30)42)26-10-8-18-38-24-26/h1-4,7-20,23-24H,5-6,21-22H2.
What are the key properties of 1-pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole?
1-pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole has a molecular weight of 544.66 g/mol, XLogP of 8.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole is sourced from PubChem (CID 71539896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).