2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide

C144H108N8O4P4 — CID 160945748

IUPAC2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide
SMILESO=P1(c2cc(-c3ccccc3)ccc2-c2ccccc2)N(c2ccccc2)c2ccccc2N1c1ccccc1.O=P1(c2ccccc2)N(c2ccc(-c3ccccc3)cc2)c2ccccc2N1c1ccc(-c2ccccc2)cc1.O=P1(c2ccccc2)N(c2cccc(-c3ccccc3)c2)c2ccccc2N1c1cccc(-c2ccccc2)c1.O=P1(c2ccccc2)N(c2ccccc2-c2ccccc2)c2ccccc2N1c1ccccc1-c1ccccc1
InChIInChI=1S/4C36H27N2OP/c39-40(36-27-30(28-15-5-1-6-16-28)25-26-33(36)29-17-7-2-8-18-29)37(31-19-9-3-10-20-31)34-23-13-14-24-35(34)38(40)32-21-11-4-12-22-32;39-40(30-20-8-3-9-21-30)37(33-24-12-10-22-31(33)28-16-4-1-5-17-28)35-26-14-15-27-36(35)38(40)34-25-13-11-23-32(34)29-18-6-2-7-19-29;39-40(34-22-8-3-9-23-34)37(32-20-12-18-30(26-32)28-14-4-1-5-15-28)35-24-10-11-25-36(35)38(40)33-21-13-19-31(27-33)29-16-6-2-7-17-29;39-40(34-16-8-3-9-17-34)37(32-24-20-30(21-25-32)28-12-4-1-5-13-28)35-18-10-11-19-36(35)38(40)33-26-22-31(23-27-33)29-14-6-2-7-15-29/h4*1-27H
InChIKeySVBUNRUVIXWZDV-UHFFFAOYSA-N
MW2138.40 g/mol
LogP39.32
Rot. Bonds20

About 2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide

2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide (PubChem CID 160945748) has the molecular formula C144H108N8O4P4 and a molecular weight of 2138.40 g/mol. Its IUPAC name is 2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide.

Molecular Properties

Compound Name2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide
PubChem CID160945748
Molecular FormulaC144H108N8O4P4
Molecular Weight2138.40 g/mol
Exact Mass2136.74
IUPAC Name2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide
SMILESO=P1(c2cc(-c3ccccc3)ccc2-c2ccccc2)N(c2ccccc2)c2ccccc2N1c1ccccc1.O=P1(c2ccccc2)N(c2ccc(-c3ccccc3)cc2)c2ccccc2N1c1ccc(-c2ccccc2)cc1.O=P1(c2ccccc2)N(c2cccc(-c3ccccc3)c2)c2ccccc2N1c1cccc(-c2ccccc2)c1.O=P1(c2ccccc2)N(c2ccccc2-c2ccccc2)c2ccccc2N1c1ccccc1-c1ccccc1
InChIInChI=1S/4C36H27N2OP/c39-40(36-27-30(28-15-5-1-6-16-28)25-26-33(36)29-17-7-2-8-18-29)37(31-19-9-3-10-20-31)34-23-13-14-24-35(34)38(40)32-21-11-4-12-22-32;39-40(30-20-8-3-9-21-30)37(33-24-12-10-22-31(33)28-16-4-1-5-17-28)35-26-14-15-27-36(35)38(40)34-25-13-11-23-32(34)29-18-6-2-7-19-29;39-40(34-22-8-3-9-23-34)37(32-20-12-18-30(26-32)28-14-4-1-5-15-28)35-24-10-11-25-36(35)38(40)33-21-13-19-31(27-33)29-16-6-2-7-17-29;39-40(34-16-8-3-9-17-34)37(32-24-20-30(21-25-32)28-12-4-1-5-13-28)35-18-10-11-19-36(35)38(40)33-26-22-31(23-27-33)29-14-6-2-7-15-29/h4*1-27H
InChIKeySVBUNRUVIXWZDV-UHFFFAOYSA-N
XLogP39.32
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002138.40
LogP ≤ 539.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide with MolForge

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Related Compounds

2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 58399870
2-[5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-2,4-diphenylphenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-5-phenylphenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-(2-oxo-1,3,5,6-tetraphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5,6-tetraphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 158078699
2-[4-[3,5-bis[4-[2-oxo-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-2-yl]phenyl]phenyl]phenyl]-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-[4,6-bis[4-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 161385436
2-naphthalen-1-yl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 58399888
5-[3-(3,6-diphenylcarbazol-9-yl)-5-phenylphenyl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134535919
6-(4-phenylphenyl)-5,7-dipyridin-4-ylbenzo[d][1,3,2]benzodiazaphosphepine 6-oxide
CID 58399902
1,3,4,5-tetraphenyl-2-(4-phenylphenyl)-1,3,2λ5-diazaphosphole 2-oxide
CID 58400030
5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide
CID 90070094
N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-N-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-5-amine
CID 134521867
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345
2-[3-(2-hydroxy-1,3-diphenyl-1,3,2-benzodiazaphosphol-2-ium-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 70887268
1,3-bis(3,4-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 58399883

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide?
The IUPAC name of 2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide (CID 160945748) is 2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide.
What is the SMILES notation for 2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide?
The canonical SMILES for 2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide is O=P1(c2cc(-c3ccccc3)ccc2-c2ccccc2)N(c2ccccc2)c2ccccc2N1c1ccccc1.O=P1(c2ccccc2)N(c2ccc(-c3ccccc3)cc2)c2ccccc2N1c1ccc(-c2ccccc2)cc1.O=P1(c2ccccc2)N(c2cccc(-c3ccccc3)c2)c2ccccc2N1c1cccc(-c2ccccc2)c1.O=P1(c2ccccc2)N(c2ccccc2-c2ccccc2)c2ccccc2N1c1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide?
The InChIKey is SVBUNRUVIXWZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C36H27N2OP/c39-40(36-27-30(28-15-5-1-6-16-28)25-26-33(36)29-17-7-2-8-18-29)37(31-19-9-3-10-20-31)34-23-13-14-24-35(34)38(40)32-21-11-4-12-22-32;39-40(30-20-8-3-9-21-30)37(33-24-12-10-22-31(33)28-16-4-1-5-17-28)35-26-14-15-27-36(35)38(40)34-25-13-11-23-32(34)29-18-6-2-7-19-29;39-40(34-22-8-3-9-23-34)37(32-20-12-18-30(26-32)28-14-4-1-5-15-28)35-24-10-11-25-36(35)38(40)33-21-13-19-31(27-33)29-16-6-2-7-17-29;39-40(34-16-8-3-9-17-34)37(32-24-20-30(21-25-32)28-12-4-1-5-13-28)35-18-10-11-19-36(35)38(40)33-26-22-31(23-27-33)29-14-6-2-7-15-29/h4*1-27H.
What are the key properties of 2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide?
2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide has a molecular weight of 2138.40 g/mol, XLogP of 39.32, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide is sourced from PubChem (CID 160945748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).