N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline

C60H58N10O4P4 — CID 139073368

IUPACN-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline
SMILESO=P(Nc1ccccc1)(Nc1ccccc1)N(c1ccccc1)P(=O)(Nc1ccccc1)Nc1ccccc1.O=P(Nc1ccccc1)(Nc1ccccc1)N(c1ccccc1)P(=O)(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/2C30H29N5O2P2/c2*36-38(31-26-16-6-1-7-17-26,32-27-18-8-2-9-19-27)35(30-24-14-5-15-25-30)39(37,33-28-20-10-3-11-21-28)34-29-22-12-4-13-23-29/h2*1-25H,(H2,31,32,36)(H2,33,34,37)
InChIKeyKEOVEFBXRJJYIX-UHFFFAOYSA-N
MW1107.09 g/mol
LogP18.32
Rot. Bonds22

About N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline

N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline (PubChem CID 139073368) has the molecular formula C60H58N10O4P4 and a molecular weight of 1107.09 g/mol. Its IUPAC name is N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline.

Molecular Properties

Compound NameN-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline
PubChem CID139073368
Molecular FormulaC60H58N10O4P4
Molecular Weight1107.09 g/mol
Exact Mass1106.36
IUPAC NameN-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline
SMILESO=P(Nc1ccccc1)(Nc1ccccc1)N(c1ccccc1)P(=O)(Nc1ccccc1)Nc1ccccc1.O=P(Nc1ccccc1)(Nc1ccccc1)N(c1ccccc1)P(=O)(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/2C30H29N5O2P2/c2*36-38(31-26-16-6-1-7-17-26,32-27-18-8-2-9-19-27)35(30-24-14-5-15-25-30)39(37,33-28-20-10-3-11-21-28)34-29-22-12-4-13-23-29/h2*1-25H,(H2,31,32,36)(H2,33,34,37)
InChIKeyKEOVEFBXRJJYIX-UHFFFAOYSA-N
XLogP18.32
TPSA171.00 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001107.09
LogP ≤ 518.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[anilino(diethylamino)phosphoryl]aniline
CID 17186015
(N-aminoanilino)oxy-N-phenylphosphonamidic acid
CID 90478231
N-[bis(2-methylpropoxy)phosphoryl]aniline
CID 3065120
N-diphenylphosphoryloxy-N-phenylaniline
CID 175451878
N-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline
CID 10481229
carbonic acid;1,1,2-triphenylhydrazine
CID 160785821
N,N-diphenylhydroxylamine;phosphoric acid
CID 175346911
N-dithiophen-2-ylphosphorylaniline
CID 118536976
N-[bis(propylamino)phosphoryl]aniline
CID 154418549
(N-anilinoanilino)-oxophosphanium
CID 173011072
N-[anilino(phenoxy)phosphoryl]benzenesulfonamide
CID 25035075
N-diaminophosphoryl-N-phenylaniline;hydrochloride
CID 172842022

Frequently Asked Questions

What is the IUPAC name of N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline?
The IUPAC name of N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline (CID 139073368) is N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline.
What is the SMILES notation for N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline?
The canonical SMILES for N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline is O=P(Nc1ccccc1)(Nc1ccccc1)N(c1ccccc1)P(=O)(Nc1ccccc1)Nc1ccccc1.O=P(Nc1ccccc1)(Nc1ccccc1)N(c1ccccc1)P(=O)(Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline?
The InChIKey is KEOVEFBXRJJYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H29N5O2P2/c2*36-38(31-26-16-6-1-7-17-26,32-27-18-8-2-9-19-27)35(30-24-14-5-15-25-30)39(37,33-28-20-10-3-11-21-28)34-29-22-12-4-13-23-29/h2*1-25H,(H2,31,32,36)(H2,33,34,37).
What are the key properties of N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline?
N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline has a molecular weight of 1107.09 g/mol, XLogP of 18.32, 22 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline is sourced from PubChem (CID 139073368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).