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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Related Compounds

2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine
CID 90362578
3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine
CID 69378756
3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 69375800
2-diphenylphosphorylpyridine
CID 3496437
3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
CID 69375756
2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine
CID 69376666
2-[4-[10,10-dimethyl-14,21-bis(4-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]-3-phenylimidazo[1,2-a]pyrimidine
CID 89178326
2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid
CID 58752258
2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969
2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)ethanamine
CID 82292189
3-(4-diphenylphosphorylphenyl)pyridine
CID 118672824
2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine
CID 69378441

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).