triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane

C52H41N3P2 — CID 10876446

IUPACtriphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane
SMILESc1ccc(P(=Nc2ccccc2-c2ccc(-c3ccccc3N=P(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H41N3P2/c1-7-23-41(24-8-1)56(42-25-9-2-10-26-42,43-27-11-3-12-28-43)54-51-37-21-19-35-47(51)49-39-40-50(53-49)48-36-20-22-38-52(48)55-57(44-29-13-4-14-30-44,45-31-15-5-16-32-45)46-33-17-6-18-34-46/h1-40,53H
InChIKeyPHRYNDCAFHJMLJ-UHFFFAOYSA-N
MW769.87 g/mol
LogP11.97
Rot. Bonds10

About triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane

triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane (PubChem CID 10876446) has the molecular formula C52H41N3P2 and a molecular weight of 769.87 g/mol. Its IUPAC name is triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane.

Molecular Properties

Compound Nametriphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane
PubChem CID10876446
Molecular FormulaC52H41N3P2
Molecular Weight769.87 g/mol
Exact Mass769.28
IUPAC Nametriphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane
SMILESc1ccc(P(=Nc2ccccc2-c2ccc(-c3ccccc3N=P(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H41N3P2/c1-7-23-41(24-8-1)56(42-25-9-2-10-26-42,43-27-11-3-12-28-43)54-51-37-21-19-35-47(51)49-39-40-50(53-49)48-36-20-22-38-52(48)55-57(44-29-13-4-14-30-44,45-31-15-5-16-32-45)46-33-17-6-18-34-46/h1-40,53H
InChIKeyPHRYNDCAFHJMLJ-UHFFFAOYSA-N
XLogP11.97
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.87
LogP ≤ 511.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane?
The IUPAC name of triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane (CID 10876446) is triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane.
What is the SMILES notation for triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane?
The canonical SMILES for triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane is c1ccc(P(=Nc2ccccc2-c2ccc(-c3ccccc3N=P(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane?
The InChIKey is PHRYNDCAFHJMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41N3P2/c1-7-23-41(24-8-1)56(42-25-9-2-10-26-42,43-27-11-3-12-28-43)54-51-37-21-19-35-47(51)49-39-40-50(53-49)48-36-20-22-38-52(48)55-57(44-29-13-4-14-30-44,45-31-15-5-16-32-45)46-33-17-6-18-34-46/h1-40,53H.
What are the key properties of triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane?
triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane has a molecular weight of 769.87 g/mol, XLogP of 11.97, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane is sourced from PubChem (CID 10876446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).