2-dibenzofuran-2-yl-3-[4-(3-dimethylphosphorylphenyl)phenyl]-5,6-diphenylpyrazine

C42H31N2O2P — CID 156509378

IUPAC2-dibenzofuran-2-yl-3-[4-(3-dimethylphosphorylphenyl)phenyl]-5,6-diphenylpyrazine
SMILESCP(C)(=O)c1cccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccc4oc5ccccc5c4c3)cc2)c1
InChIInChI=1S/C42H31N2O2P/c1-47(2,45)34-17-11-16-32(26-34)28-20-22-31(23-21-28)41-42(33-24-25-38-36(27-33)35-18-9-10-19-37(35)46-38)44-40(30-14-7-4-8-15-30)39(43-41)29-12-5-3-6-13-29/h3-27H,1-2H3
InChIKeyMAQRBVNHLBXFAM-UHFFFAOYSA-N
MW626.70 g/mol
LogP10.96
Rot. Bonds6

About 2-dibenzofuran-2-yl-3-[4-(3-dimethylphosphorylphenyl)phenyl]-5,6-diphenylpyrazine

2-dibenzofuran-2-yl-3-[4-(3-dimethylphosphorylphenyl)phenyl]-5,6-diphenylpyrazine (PubChem CID 156509378) has the molecular formula C42H31N2O2P and a molecular weight of 626.70 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-3-[4-(3-dimethylphosphorylphenyl)phenyl]-5,6-diphenylpyrazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-3-[4-(3-dimethylphosphorylphenyl)phenyl]-5,6-diphenylpyrazine
PubChem CID156509378
Molecular FormulaC42H31N2O2P
Molecular Weight626.70 g/mol
Exact Mass626.21
IUPAC Name2-dibenzofuran-2-yl-3-[4-(3-dimethylphosphorylphenyl)phenyl]-5,6-diphenylpyrazine
SMILESCP(C)(=O)c1cccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccc4oc5ccccc5c4c3)cc2)c1
InChIInChI=1S/C42H31N2O2P/c1-47(2,45)34-17-11-16-32(26-34)28-20-22-31(23-21-28)41-42(33-24-25-38-36(27-33)35-18-9-10-19-37(35)46-38)44-40(30-14-7-4-8-15-30)39(43-41)29-12-5-3-6-13-29/h3-27H,1-2H3
InChIKeyMAQRBVNHLBXFAM-UHFFFAOYSA-N
XLogP10.96
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.70
LogP ≤ 510.96
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-dibenzofuran-2-yl-5-[4-(3-dimethylphosphorylphenyl)phenyl]-3,6-diphenylpyrazine
CID 156509370
2-dibenzofuran-1-yl-5-[4-(3-dimethylphosphorylphenyl)phenyl]-3,6-diphenylpyrazine
CID 156509455
4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile
CID 156509421
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline
CID 3123808
2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 146431776
4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 155116790
[4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056465

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-3-[4-(3-dimethylphosphorylphenyl)phenyl]-5,6-diphenylpyrazine?
The IUPAC name of 2-dibenzofuran-2-yl-3-[4-(3-dimethylphosphorylphenyl)phenyl]-5,6-diphenylpyrazine (CID 156509378) is 2-dibenzofuran-2-yl-3-[4-(3-dimethylphosphorylphenyl)phenyl]-5,6-diphenylpyrazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-3-[4-(3-dimethylphosphorylphenyl)phenyl]-5,6-diphenylpyrazine?
The canonical SMILES for 2-dibenzofuran-2-yl-3-[4-(3-dimethylphosphorylphenyl)phenyl]-5,6-diphenylpyrazine is CP(C)(=O)c1cccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccc4oc5ccccc5c4c3)cc2)c1.
What is the InChIKey of 2-dibenzofuran-2-yl-3-[4-(3-dimethylphosphorylphenyl)phenyl]-5,6-diphenylpyrazine?
The InChIKey is MAQRBVNHLBXFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N2O2P/c1-47(2,45)34-17-11-16-32(26-34)28-20-22-31(23-21-28)41-42(33-24-25-38-36(27-33)35-18-9-10-19-37(35)46-38)44-40(30-14-7-4-8-15-30)39(43-41)29-12-5-3-6-13-29/h3-27H,1-2H3.
What are the key properties of 2-dibenzofuran-2-yl-3-[4-(3-dimethylphosphorylphenyl)phenyl]-5,6-diphenylpyrazine?
2-dibenzofuran-2-yl-3-[4-(3-dimethylphosphorylphenyl)phenyl]-5,6-diphenylpyrazine has a molecular weight of 626.70 g/mol, XLogP of 10.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-3-[4-(3-dimethylphosphorylphenyl)phenyl]-5,6-diphenylpyrazine is sourced from PubChem (CID 156509378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).