2-butan-2-yl-3-[6-[2-[6-(2-butan-2-yl-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine

C31H36N4 — CID 58162308

IUPAC2-butan-2-yl-3-[6-[2-[6-(2-butan-2-yl-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine
SMILESCCC(C)c1ncccc1-c1cccc(C(C)(C)c2cccc(-c3cccnc3C(C)CC)n2)n1
InChIInChI=1S/C31H36N4/c1-7-21(3)29-23(13-11-19-32-29)25-15-9-17-27(34-25)31(5,6)28-18-10-16-26(35-28)24-14-12-20-33-30(24)22(4)8-2/h9-22H,7-8H2,1-6H3
InChIKeyDDAZTRMDBFWYND-UHFFFAOYSA-N
MW464.66 g/mol
LogP7.95
Rot. Bonds8

About 2-butan-2-yl-3-[6-[2-[6-(2-butan-2-yl-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine

2-butan-2-yl-3-[6-[2-[6-(2-butan-2-yl-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine (PubChem CID 58162308) has the molecular formula C31H36N4 and a molecular weight of 464.66 g/mol. Its IUPAC name is 2-butan-2-yl-3-[6-[2-[6-(2-butan-2-yl-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-butan-2-yl-3-[6-[2-[6-(2-butan-2-yl-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine
PubChem CID58162308
Molecular FormulaC31H36N4
Molecular Weight464.66 g/mol
Exact Mass464.29
IUPAC Name2-butan-2-yl-3-[6-[2-[6-(2-butan-2-yl-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine
SMILESCCC(C)c1ncccc1-c1cccc(C(C)(C)c2cccc(-c3cccnc3C(C)CC)n2)n1
InChIInChI=1S/C31H36N4/c1-7-21(3)29-23(13-11-19-32-29)25-15-9-17-27(34-25)31(5,6)28-18-10-16-26(35-28)24-14-12-20-33-30(24)22(4)8-2/h9-22H,7-8H2,1-6H3
InChIKeyDDAZTRMDBFWYND-UHFFFAOYSA-N
XLogP7.95
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.66
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-[6-[2-[6-(2-butan-2-yl-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine?
The IUPAC name of 2-butan-2-yl-3-[6-[2-[6-(2-butan-2-yl-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine (CID 58162308) is 2-butan-2-yl-3-[6-[2-[6-(2-butan-2-yl-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-butan-2-yl-3-[6-[2-[6-(2-butan-2-yl-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-butan-2-yl-3-[6-[2-[6-(2-butan-2-yl-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine is CCC(C)c1ncccc1-c1cccc(C(C)(C)c2cccc(-c3cccnc3C(C)CC)n2)n1.
What is the InChIKey of 2-butan-2-yl-3-[6-[2-[6-(2-butan-2-yl-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine?
The InChIKey is DDAZTRMDBFWYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4/c1-7-21(3)29-23(13-11-19-32-29)25-15-9-17-27(34-25)31(5,6)28-18-10-16-26(35-28)24-14-12-20-33-30(24)22(4)8-2/h9-22H,7-8H2,1-6H3.
What are the key properties of 2-butan-2-yl-3-[6-[2-[6-(2-butan-2-yl-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine?
2-butan-2-yl-3-[6-[2-[6-(2-butan-2-yl-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine has a molecular weight of 464.66 g/mol, XLogP of 7.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3-[6-[2-[6-(2-butan-2-yl-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine is sourced from PubChem (CID 58162308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).