2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide

C36H27N2OP — CID 58399870

IUPAC2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide
SMILESO=P1(c2ccccc2)N(c2ccccc2-c2ccccc2)c2ccccc2N1c1ccccc1-c1ccccc1
InChIInChI=1S/C36H27N2OP/c39-40(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/h1-27H
InChIKeyHDGZOVXCJJMSHV-UHFFFAOYSA-N
MW534.60 g/mol
LogP9.83
Rot. Bonds5

About 2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide

2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide (PubChem CID 58399870) has the molecular formula C36H27N2OP and a molecular weight of 534.60 g/mol. Its IUPAC name is 2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide.

Molecular Properties

Compound Name2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide
PubChem CID58399870
Molecular FormulaC36H27N2OP
Molecular Weight534.60 g/mol
Exact Mass534.19
IUPAC Name2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide
SMILESO=P1(c2ccccc2)N(c2ccccc2-c2ccccc2)c2ccccc2N1c1ccccc1-c1ccccc1
InChIInChI=1S/C36H27N2OP/c39-40(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/h1-27H
InChIKeyHDGZOVXCJJMSHV-UHFFFAOYSA-N
XLogP9.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.60
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
6-(4-phenylphenyl)-5,7-dipyridin-4-ylbenzo[d][1,3,2]benzodiazaphosphepine 6-oxide
CID 58399902
1,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 58400018
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
1,3,4,5-tetraphenyl-2-(4-phenylphenyl)-1,3,2λ5-diazaphosphole 2-oxide
CID 58400030
4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione
CID 125269943
5-[3-(3,6-diphenylcarbazol-9-yl)-5-phenylphenyl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134535919
5-bromo-1-(9,9-dimethylfluoren-1-yl)-2,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134535975
1,3-bis(3,5-diphenylphenyl)-2-(2-phenylpyrimidin-5-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 58399820
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
5-bromo-1-(9,9-dimethylfluoren-4-yl)-2,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134535812
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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide?
The IUPAC name of 2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide (CID 58399870) is 2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide.
What is the SMILES notation for 2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide?
The canonical SMILES for 2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide is O=P1(c2ccccc2)N(c2ccccc2-c2ccccc2)c2ccccc2N1c1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide?
The InChIKey is HDGZOVXCJJMSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N2OP/c39-40(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/h1-27H.
What are the key properties of 2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide?
2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide has a molecular weight of 534.60 g/mol, XLogP of 9.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide is sourced from PubChem (CID 58399870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).