triphenyl-[2-[(2R,3S)-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]oxiran-2-yl]phenyl]imino-lambda5-phosphane

C50H40N2OP2 — CID 10556984

IUPACtriphenyl-[2-[(2R,3S)-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]oxiran-2-yl]phenyl]imino-lambda5-phosphane
SMILESc1ccc(P(=Nc2ccccc2[C@H]2O[C@H]2c2ccccc2N=P(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H40N2OP2/c1-7-23-39(24-8-1)54(40-25-9-2-10-26-40,41-27-11-3-12-28-41)51-47-37-21-19-35-45(47)49-50(53-49)46-36-20-22-38-48(46)52-55(42-29-13-4-14-30-42,43-31-15-5-16-32-43)44-33-17-6-18-34-44/h1-38,49-50H/t49-,50+
InChIKeyQLHPLWHLAWYLTN-DKSDCYBHSA-N
MW746.83 g/mol
LogP11.12
Rot. Bonds10

About triphenyl-[2-[(2R,3S)-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]oxiran-2-yl]phenyl]imino-lambda5-phosphane

triphenyl-[2-[(2R,3S)-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]oxiran-2-yl]phenyl]imino-lambda5-phosphane (PubChem CID 10556984) has the molecular formula C50H40N2OP2 and a molecular weight of 746.83 g/mol. Its IUPAC name is triphenyl-[2-[(2R,3S)-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]oxiran-2-yl]phenyl]imino-lambda5-phosphane.

Molecular Properties

Compound Nametriphenyl-[2-[(2R,3S)-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]oxiran-2-yl]phenyl]imino-lambda5-phosphane
PubChem CID10556984
Molecular FormulaC50H40N2OP2
Molecular Weight746.83 g/mol
Exact Mass746.26
IUPAC Nametriphenyl-[2-[(2R,3S)-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]oxiran-2-yl]phenyl]imino-lambda5-phosphane
SMILESc1ccc(P(=Nc2ccccc2[C@H]2O[C@H]2c2ccccc2N=P(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H40N2OP2/c1-7-23-39(24-8-1)54(40-25-9-2-10-26-40,41-27-11-3-12-28-41)51-47-37-21-19-35-45(47)49-50(53-49)46-36-20-22-38-48(46)52-55(42-29-13-4-14-30-42,43-31-15-5-16-32-43)44-33-17-6-18-34-44/h1-38,49-50H/t49-,50+
InChIKeyQLHPLWHLAWYLTN-DKSDCYBHSA-N
XLogP11.12
TPSA37.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.83
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione
CID 15579044
2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile
CID 4918351
8-oxatricyclo[4.3.0.07,9]nona-1,3,5-triene
CID 87081194
triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane
CID 10876446
3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde
CID 18404100
2-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]-3,1-benzoxazin-4-one
CID 602972
[4-bromo-2-(1,3-oxathian-2-yl)phenyl]imino-triphenyl-λ5-phosphane
CID 102485647
[2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane
CID 15209044
triphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane
CID 11167544
(2,3,4,5,6-pentafluorophenyl)imino-triphenyl-λ5-phosphane
CID 71362132
triphenyl-[4-(4-phenylphenyl)phenyl]imino-λ5-phosphane
CID 101426516
[2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane
CID 4120894

Frequently Asked Questions

What is the IUPAC name of triphenyl-[2-[(2R,3S)-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]oxiran-2-yl]phenyl]imino-lambda5-phosphane?
The IUPAC name of triphenyl-[2-[(2R,3S)-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]oxiran-2-yl]phenyl]imino-lambda5-phosphane (CID 10556984) is triphenyl-[2-[(2R,3S)-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]oxiran-2-yl]phenyl]imino-lambda5-phosphane.
What is the SMILES notation for triphenyl-[2-[(2R,3S)-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]oxiran-2-yl]phenyl]imino-lambda5-phosphane?
The canonical SMILES for triphenyl-[2-[(2R,3S)-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]oxiran-2-yl]phenyl]imino-lambda5-phosphane is c1ccc(P(=Nc2ccccc2[C@H]2O[C@H]2c2ccccc2N=P(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[2-[(2R,3S)-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]oxiran-2-yl]phenyl]imino-lambda5-phosphane?
The InChIKey is QLHPLWHLAWYLTN-DKSDCYBHSA-N. The full InChI is InChI=1S/C50H40N2OP2/c1-7-23-39(24-8-1)54(40-25-9-2-10-26-40,41-27-11-3-12-28-41)51-47-37-21-19-35-45(47)49-50(53-49)46-36-20-22-38-48(46)52-55(42-29-13-4-14-30-42,43-31-15-5-16-32-43)44-33-17-6-18-34-44/h1-38,49-50H/t49-,50+.
What are the key properties of triphenyl-[2-[(2R,3S)-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]oxiran-2-yl]phenyl]imino-lambda5-phosphane?
triphenyl-[2-[(2R,3S)-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]oxiran-2-yl]phenyl]imino-lambda5-phosphane has a molecular weight of 746.83 g/mol, XLogP of 11.12, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[2-[(2R,3S)-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]oxiran-2-yl]phenyl]imino-lambda5-phosphane is sourced from PubChem (CID 10556984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).