1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione

C50H36N2O2P2 — CID 15579044

IUPAC1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione
SMILESO=C1c2cccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)c2C(=O)c2cccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)c21
InChIInChI=1S/C50H36N2O2P2/c53-49-44-34-20-36-46(52-56(40-27-13-4-14-28-40,41-29-15-5-16-30-41)42-31-17-6-18-32-42)48(44)50(54)43-33-19-35-45(47(43)49)51-55(37-21-7-1-8-22-37,38-23-9-2-10-24-38)39-25-11-3-12-26-39/h1-36H
InChIKeyNIDJLGFOKVAHDJ-UHFFFAOYSA-N
MW758.80 g/mol
LogP10.08
Rot. Bonds8

About 1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione

1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione (PubChem CID 15579044) has the molecular formula C50H36N2O2P2 and a molecular weight of 758.80 g/mol. Its IUPAC name is 1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione.

Molecular Properties

Compound Name1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione
PubChem CID15579044
Molecular FormulaC50H36N2O2P2
Molecular Weight758.80 g/mol
Exact Mass758.23
IUPAC Name1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione
SMILESO=C1c2cccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)c2C(=O)c2cccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)c21
InChIInChI=1S/C50H36N2O2P2/c53-49-44-34-20-36-46(52-56(40-27-13-4-14-28-40,41-29-15-5-16-30-41)42-31-17-6-18-32-42)48(44)50(54)43-33-19-35-45(47(43)49)51-55(37-21-7-1-8-22-37,38-23-9-2-10-24-38)39-25-11-3-12-26-39/h1-36H
InChIKeyNIDJLGFOKVAHDJ-UHFFFAOYSA-N
XLogP10.08
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.80
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane
CID 10876446
2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one
CID 2780900
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
1-(methyldiazenyl)anthracene-9,10-dione
CID 58592242
2-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]-3,1-benzoxazin-4-one
CID 602972
triphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane
CID 11167544
N-[5-[[(9,10-dioxoanthracen-2-yl)-hydroxymethylidene]amino]-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracene-2-carboximidic acid
CID 170848279
N-[5-[[5-[[hydroxy(phenyl)methylidene]amino]-9,10-dioxoanthracen-1-yl]amino]-9,10-dioxoanthracen-1-yl]benzenecarboximidic acid
CID 136680233
N'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide
CID 90673700
[2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane
CID 15209044
1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine
CID 168606063

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione?
The IUPAC name of 1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione (CID 15579044) is 1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione.
What is the SMILES notation for 1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione?
The canonical SMILES for 1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione is O=C1c2cccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)c2C(=O)c2cccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)c21.
What is the InChIKey of 1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione?
The InChIKey is NIDJLGFOKVAHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2O2P2/c53-49-44-34-20-36-46(52-56(40-27-13-4-14-28-40,41-29-15-5-16-30-41)42-31-17-6-18-32-42)48(44)50(54)43-33-19-35-45(47(43)49)51-55(37-21-7-1-8-22-37,38-23-9-2-10-24-38)39-25-11-3-12-26-39/h1-36H.
What are the key properties of 1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione?
1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione has a molecular weight of 758.80 g/mol, XLogP of 10.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione is sourced from PubChem (CID 15579044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).