[2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]imino-triphenyl-λ5-phosphane

C43H36N2OP2 — CID 89330602

IUPAC[2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]imino-triphenyl-λ5-phosphane
SMILESCOc1cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H36N2OP2/c1-46-43-34-35(44-47(36-20-8-2-9-21-36,37-22-10-3-11-23-37)38-24-12-4-13-25-38)32-33-42(43)45-48(39-26-14-5-15-27-39,40-28-16-6-17-29-40)41-30-18-7-19-31-41/h2-34H,1H3
InChIKeySWCXZYFPMUMNQO-UHFFFAOYSA-N
MW658.72 g/mol
LogP9.31
Rot. Bonds9

About [2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]imino-triphenyl-λ5-phosphane

[2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]imino-triphenyl-λ5-phosphane (PubChem CID 89330602) has the molecular formula C43H36N2OP2 and a molecular weight of 658.72 g/mol. Its IUPAC name is [2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]imino-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name[2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]imino-triphenyl-λ5-phosphane
PubChem CID89330602
Molecular FormulaC43H36N2OP2
Molecular Weight658.72 g/mol
Exact Mass658.23
IUPAC Name[2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]imino-triphenyl-λ5-phosphane
SMILESCOc1cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H36N2OP2/c1-46-43-34-35(44-47(36-20-8-2-9-21-36,37-22-10-3-11-23-37)38-24-12-4-13-25-38)32-33-42(43)45-48(39-26-14-5-15-27-39,40-28-16-6-17-29-40)41-30-18-7-19-31-41/h2-34H,1H3
InChIKeySWCXZYFPMUMNQO-UHFFFAOYSA-N
XLogP9.31
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.72
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(dimethoxymethyl)-4-methylphenyl]imino-triphenyl-λ5-phosphane
CID 71531095
N,N-diethyl-4-[(triphenyl-λ5-phosphanylidene)amino]aniline
CID 134935584
4-[(triphenyl-λ5-phosphanylidene)amino]benzoic acid
CID 11452277
1-[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[5-methyl-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]methanamine
CID 10417758
triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane
CID 10876446
(2-methoxy-4-methylphenyl)-[4-[(2-methoxyphenyl)diazenyl]phenyl]diazene
CID 156523555
triphenyl-[2-[(2R,3S)-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]oxiran-2-yl]phenyl]imino-lambda5-phosphane
CID 10556984
2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile
CID 4918351
N'-(3,4-dimethoxyphenyl)benzenecarboximidamide
CID 24834403
1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene
CID 6901168
CID 177475534
CID 177475534
CID 101406960
CID 101406960

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]imino-triphenyl-λ5-phosphane?
The IUPAC name of [2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]imino-triphenyl-λ5-phosphane (CID 89330602) is [2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]imino-triphenyl-λ5-phosphane.
What is the SMILES notation for [2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]imino-triphenyl-λ5-phosphane?
The canonical SMILES for [2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]imino-triphenyl-λ5-phosphane is COc1cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]imino-triphenyl-λ5-phosphane?
The InChIKey is SWCXZYFPMUMNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36N2OP2/c1-46-43-34-35(44-47(36-20-8-2-9-21-36,37-22-10-3-11-23-37)38-24-12-4-13-25-38)32-33-42(43)45-48(39-26-14-5-15-27-39,40-28-16-6-17-29-40)41-30-18-7-19-31-41/h2-34H,1H3.
What are the key properties of [2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]imino-triphenyl-λ5-phosphane?
[2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]imino-triphenyl-λ5-phosphane has a molecular weight of 658.72 g/mol, XLogP of 9.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]imino-triphenyl-λ5-phosphane is sourced from PubChem (CID 89330602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).