4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one

C35H23N2O2P — CID 118372598

IUPAC4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)c21
InChIInChI=1S/C35H23N2O2P/c38-34-30-19-11-10-18-29(30)33-31(34)32(36-35(37-33)25-12-4-1-5-13-25)24-20-22-28(23-21-24)40(39,26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-23H
InChIKeyAHALVNMPOACFCA-UHFFFAOYSA-N
MW534.56 g/mol
LogP6.66
Rot. Bonds5

About 4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one

4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one (PubChem CID 118372598) has the molecular formula C35H23N2O2P and a molecular weight of 534.56 g/mol. Its IUPAC name is 4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one
PubChem CID118372598
Molecular FormulaC35H23N2O2P
Molecular Weight534.56 g/mol
Exact Mass534.15
IUPAC Name4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)c21
InChIInChI=1S/C35H23N2O2P/c38-34-30-19-11-10-18-29(30)33-31(34)32(36-35(37-33)25-12-4-1-5-13-25)24-20-22-28(23-21-24)40(39,26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-23H
InChIKeyAHALVNMPOACFCA-UHFFFAOYSA-N
XLogP6.66
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.56
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969
2-[4-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901945
4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 140901998
2-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 140901916
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140901948
4'-(4-diphenylphosphorylphenyl)-2',10-diphenylspiro[acridine-9,9'-indeno[2,1-d]pyrimidine]
CID 118372562
10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine
CID 146548515
5-phenylindeno[1,2-c]isoquinolin-11-one
CID 154625535
4'-[4-(4-diphenylphosphorylphenyl)phenyl]-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine];4'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine];2'-phenyl-4'-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,5'-indeno[1,2-d]pyrimidine];2'-phenyl-4'-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
CID 162175684
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 155273418
10-[4-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine
CID 146548847
2,4-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine
CID 138605140

Frequently Asked Questions

What is the IUPAC name of 4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one (CID 118372598) is 4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one is O=C1c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)c21.
What is the InChIKey of 4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is AHALVNMPOACFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N2O2P/c38-34-30-19-11-10-18-29(30)33-31(34)32(36-35(37-33)25-12-4-1-5-13-25)24-20-22-28(23-21-24)40(39,26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-23H.
What are the key properties of 4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one?
4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 534.56 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-diphenylphosphorylphenyl)-2-phenylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 118372598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).