3-fluoranthen-3-yl-1,2-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide

C34H23N2OP — CID 134535966

IUPAC3-fluoranthen-3-yl-1,2-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
SMILESO=P1(c2ccccc2)N(c2ccccc2)c2ccccc2N1c1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C34H23N2OP/c37-38(25-14-5-2-6-15-25)35(24-12-3-1-4-13-24)32-20-9-10-21-33(32)36(38)31-23-22-29-27-17-8-7-16-26(27)28-18-11-19-30(31)34(28)29/h1-23H
InChIKeyYNSBTQAUFFJKOJ-UHFFFAOYSA-N
MW506.55 g/mol
LogP9.30
Rot. Bonds3

About 3-fluoranthen-3-yl-1,2-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide

3-fluoranthen-3-yl-1,2-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide (PubChem CID 134535966) has the molecular formula C34H23N2OP and a molecular weight of 506.55 g/mol. Its IUPAC name is 3-fluoranthen-3-yl-1,2-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide.

Molecular Properties

Compound Name3-fluoranthen-3-yl-1,2-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
PubChem CID134535966
Molecular FormulaC34H23N2OP
Molecular Weight506.55 g/mol
Exact Mass506.15
IUPAC Name3-fluoranthen-3-yl-1,2-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
SMILESO=P1(c2ccccc2)N(c2ccccc2)c2ccccc2N1c1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C34H23N2OP/c37-38(25-14-5-2-6-15-25)35(24-12-3-1-4-13-24)32-20-9-10-21-33(32)36(38)31-23-22-29-27-17-8-7-16-26(27)28-18-11-19-30(31)34(28)29/h1-23H
InChIKeyYNSBTQAUFFJKOJ-UHFFFAOYSA-N
XLogP9.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.55
LogP ≤ 59.30
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-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 58399870
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
5-bromo-1-(9,9-dimethylfluoren-1-yl)-2,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134535975
1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134536016
2-naphthalen-2-yl-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 58399910
N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-N-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-5-amine
CID 134521867
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-[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
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
4-(10-phenylphenazin-5-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 145413869
6-(4-phenylphenyl)-5,7-dipyridin-4-ylbenzo[d][1,3,2]benzodiazaphosphepine 6-oxide
CID 58399902
5-[3-(3,6-diphenylcarbazol-9-yl)-5-phenylphenyl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134535919

Frequently Asked Questions

What is the IUPAC name of 3-fluoranthen-3-yl-1,2-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?
The IUPAC name of 3-fluoranthen-3-yl-1,2-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide (CID 134535966) is 3-fluoranthen-3-yl-1,2-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide.
What is the SMILES notation for 3-fluoranthen-3-yl-1,2-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?
The canonical SMILES for 3-fluoranthen-3-yl-1,2-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide is O=P1(c2ccccc2)N(c2ccccc2)c2ccccc2N1c1ccc2c3c(cccc13)-c1ccccc1-2.
What is the InChIKey of 3-fluoranthen-3-yl-1,2-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?
The InChIKey is YNSBTQAUFFJKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N2OP/c37-38(25-14-5-2-6-15-25)35(24-12-3-1-4-13-24)32-20-9-10-21-33(32)36(38)31-23-22-29-27-17-8-7-16-26(27)28-18-11-19-30(31)34(28)29/h1-23H.
What are the key properties of 3-fluoranthen-3-yl-1,2-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?
3-fluoranthen-3-yl-1,2-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide has a molecular weight of 506.55 g/mol, XLogP of 9.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoranthen-3-yl-1,2-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide is sourced from PubChem (CID 134535966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).