4-butyl-2-[4-butyl-2-[4-butyl-2-[4-butyl-2-(4-butyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine

C52H60N10 — CID 58281696

IUPAC4-butyl-2-[4-butyl-2-[4-butyl-2-[4-butyl-2-(4-butyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
SMILESCCCCc1nc(-c2cnc(-c3cnc(-c4cnc(-c5cnc(-c6ccccc6)nc5CCCC)nc4CCCC)nc3CCCC)nc2CCCC)ncc1-c1ccccc1
InChIInChI=1S/C52H60N10/c1-6-11-26-43-38(36-22-18-16-19-23-36)31-54-49(59-43)40-33-56-51(61-45(40)28-13-8-3)42-35-57-52(62-47(42)30-15-10-5)41-34-55-50(60-46(41)29-14-9-4)39-32-53-48(37-24-20-17-21-25-37)58-44(39)27-12-7-2/h16-25,31-35H,6-15,26-30H2,1-5H3
InChIKeyZWJCKKIJAZCIFD-UHFFFAOYSA-N
MW825.12 g/mol
LogP12.35
Rot. Bonds21

About 4-butyl-2-[4-butyl-2-[4-butyl-2-[4-butyl-2-(4-butyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine

4-butyl-2-[4-butyl-2-[4-butyl-2-[4-butyl-2-(4-butyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine (PubChem CID 58281696) has the molecular formula C52H60N10 and a molecular weight of 825.12 g/mol. Its IUPAC name is 4-butyl-2-[4-butyl-2-[4-butyl-2-[4-butyl-2-(4-butyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine.

Molecular Properties

Compound Name4-butyl-2-[4-butyl-2-[4-butyl-2-[4-butyl-2-(4-butyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
PubChem CID58281696
Molecular FormulaC52H60N10
Molecular Weight825.12 g/mol
Exact Mass824.50
IUPAC Name4-butyl-2-[4-butyl-2-[4-butyl-2-[4-butyl-2-(4-butyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
SMILESCCCCc1nc(-c2cnc(-c3cnc(-c4cnc(-c5cnc(-c6ccccc6)nc5CCCC)nc4CCCC)nc3CCCC)nc2CCCC)ncc1-c1ccccc1
InChIInChI=1S/C52H60N10/c1-6-11-26-43-38(36-22-18-16-19-23-36)31-54-49(59-43)40-33-56-51(61-45(40)28-13-8-3)42-35-57-52(62-47(42)30-15-10-5)41-34-55-50(60-46(41)29-14-9-4)39-32-53-48(37-24-20-17-21-25-37)58-44(39)27-12-7-2/h16-25,31-35H,6-15,26-30H2,1-5H3
InChIKeyZWJCKKIJAZCIFD-UHFFFAOYSA-N
XLogP12.35
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.12
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-butyl-2-[4-butyl-2-[4-butyl-2-[4-butyl-2-(4-butyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-[4-butyl-2-[4-butyl-2-[4-butyl-2-(4-butyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine?
The IUPAC name of 4-butyl-2-[4-butyl-2-[4-butyl-2-[4-butyl-2-(4-butyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine (CID 58281696) is 4-butyl-2-[4-butyl-2-[4-butyl-2-[4-butyl-2-(4-butyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine.
What is the SMILES notation for 4-butyl-2-[4-butyl-2-[4-butyl-2-[4-butyl-2-(4-butyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine?
The canonical SMILES for 4-butyl-2-[4-butyl-2-[4-butyl-2-[4-butyl-2-(4-butyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine is CCCCc1nc(-c2cnc(-c3cnc(-c4cnc(-c5cnc(-c6ccccc6)nc5CCCC)nc4CCCC)nc3CCCC)nc2CCCC)ncc1-c1ccccc1.
What is the InChIKey of 4-butyl-2-[4-butyl-2-[4-butyl-2-[4-butyl-2-(4-butyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine?
The InChIKey is ZWJCKKIJAZCIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H60N10/c1-6-11-26-43-38(36-22-18-16-19-23-36)31-54-49(59-43)40-33-56-51(61-45(40)28-13-8-3)42-35-57-52(62-47(42)30-15-10-5)41-34-55-50(60-46(41)29-14-9-4)39-32-53-48(37-24-20-17-21-25-37)58-44(39)27-12-7-2/h16-25,31-35H,6-15,26-30H2,1-5H3.
What are the key properties of 4-butyl-2-[4-butyl-2-[4-butyl-2-[4-butyl-2-(4-butyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine?
4-butyl-2-[4-butyl-2-[4-butyl-2-[4-butyl-2-(4-butyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine has a molecular weight of 825.12 g/mol, XLogP of 12.35, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-[4-butyl-2-[4-butyl-2-[4-butyl-2-(4-butyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine is sourced from PubChem (CID 58281696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).