2-[4-(6-diphenylphosphoryl-3-pyridinyl)phenyl]-3-phenylimidazo[1,2-a]pyrimidine

C35H25N4OP — CID 129257014

IUPAC2-[4-(6-diphenylphosphoryl-3-pyridinyl)phenyl]-3-phenylimidazo[1,2-a]pyrimidine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc4ncccn4c3-c3ccccc3)cc2)cn1
InChIInChI=1S/C35H25N4OP/c40-41(30-13-6-2-7-14-30,31-15-8-3-9-16-31)32-22-21-29(25-37-32)26-17-19-27(20-18-26)33-34(28-11-4-1-5-12-28)39-24-10-23-36-35(39)38-33/h1-25H
InChIKeyUNYQUQHRCQIDDX-UHFFFAOYSA-N
MW548.59 g/mol
LogP6.76
Rot. Bonds6

About 2-[4-(6-diphenylphosphoryl-3-pyridinyl)phenyl]-3-phenylimidazo[1,2-a]pyrimidine

2-[4-(6-diphenylphosphoryl-3-pyridinyl)phenyl]-3-phenylimidazo[1,2-a]pyrimidine (PubChem CID 129257014) has the molecular formula C35H25N4OP and a molecular weight of 548.59 g/mol. Its IUPAC name is 2-[4-(6-diphenylphosphoryl-3-pyridinyl)phenyl]-3-phenylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[4-(6-diphenylphosphoryl-3-pyridinyl)phenyl]-3-phenylimidazo[1,2-a]pyrimidine
PubChem CID129257014
Molecular FormulaC35H25N4OP
Molecular Weight548.59 g/mol
Exact Mass548.18
IUPAC Name2-[4-(6-diphenylphosphoryl-3-pyridinyl)phenyl]-3-phenylimidazo[1,2-a]pyrimidine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc4ncccn4c3-c3ccccc3)cc2)cn1
InChIInChI=1S/C35H25N4OP/c40-41(30-13-6-2-7-14-30,31-15-8-3-9-16-31)32-22-21-29(25-37-32)26-17-19-27(20-18-26)33-34(28-11-4-1-5-12-28)39-24-10-23-36-35(39)38-33/h1-25H
InChIKeyUNYQUQHRCQIDDX-UHFFFAOYSA-N
XLogP6.76
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.59
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-diphenylphosphoryl-3-pyridinyl)phenyl]-3-phenylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[4-(6-diphenylphosphoryl-3-pyridinyl)phenyl]-3-phenylimidazo[1,2-a]pyrimidine (CID 129257014) is 2-[4-(6-diphenylphosphoryl-3-pyridinyl)phenyl]-3-phenylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[4-(6-diphenylphosphoryl-3-pyridinyl)phenyl]-3-phenylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[4-(6-diphenylphosphoryl-3-pyridinyl)phenyl]-3-phenylimidazo[1,2-a]pyrimidine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc4ncccn4c3-c3ccccc3)cc2)cn1.
What is the InChIKey of 2-[4-(6-diphenylphosphoryl-3-pyridinyl)phenyl]-3-phenylimidazo[1,2-a]pyrimidine?
The InChIKey is UNYQUQHRCQIDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N4OP/c40-41(30-13-6-2-7-14-30,31-15-8-3-9-16-31)32-22-21-29(25-37-32)26-17-19-27(20-18-26)33-34(28-11-4-1-5-12-28)39-24-10-23-36-35(39)38-33/h1-25H.
What are the key properties of 2-[4-(6-diphenylphosphoryl-3-pyridinyl)phenyl]-3-phenylimidazo[1,2-a]pyrimidine?
2-[4-(6-diphenylphosphoryl-3-pyridinyl)phenyl]-3-phenylimidazo[1,2-a]pyrimidine has a molecular weight of 548.59 g/mol, XLogP of 6.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-diphenylphosphoryl-3-pyridinyl)phenyl]-3-phenylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 129257014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).