(4Z)-2-methyl-3-oxo-N-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine

C20H23N4OP — CID 2317458

IUPAC(4Z)-2-methyl-3-oxo-N-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine
SMILESCN1/C(=C2/C=NN(C)P2(=O)Nc2ccccc2)C(C)(C)c2ccccc21
InChIInChI=1S/C20H23N4OP/c1-20(2)16-12-8-9-13-17(16)23(3)19(20)18-14-21-24(4)26(18,25)22-15-10-6-5-7-11-15/h5-14H,1-4H3,(H,22,25)/b19-18-
InChIKeyNQEYPKQBJYCSJW-HNENSFHCSA-N
MW366.41 g/mol
LogP4.86
Rot. Bonds2

About (4Z)-2-methyl-3-oxo-N-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine

(4Z)-2-methyl-3-oxo-N-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine (PubChem CID 2317458) has the molecular formula C20H23N4OP and a molecular weight of 366.41 g/mol. Its IUPAC name is (4Z)-2-methyl-3-oxo-N-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine.

Molecular Properties

Compound Name(4Z)-2-methyl-3-oxo-N-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine
PubChem CID2317458
Molecular FormulaC20H23N4OP
Molecular Weight366.41 g/mol
Exact Mass366.16
IUPAC Name(4Z)-2-methyl-3-oxo-N-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine
SMILESCN1/C(=C2/C=NN(C)P2(=O)Nc2ccccc2)C(C)(C)c2ccccc21
InChIInChI=1S/C20H23N4OP/c1-20(2)16-12-8-9-13-17(16)23(3)19(20)18-14-21-24(4)26(18,25)22-15-10-6-5-7-11-15/h5-14H,1-4H3,(H,22,25)/b19-18-
InChIKeyNQEYPKQBJYCSJW-HNENSFHCSA-N
XLogP4.86
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-nitrophenyl)-3-oxo-2-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-amine
CID 5051120
(3S,4E)-2,3-diphenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphole 3-oxide
CID 11913566
(4E)-N-(4-methylphenyl)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine
CID 2317394
(3S,4E)-N,N-diethyl-2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-amine
CID 11913499
(4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide
CID 2317389
(3R,4E)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphole 3-oxide
CID 11864773
4-[2-methyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-yl]morpholine
CID 3298463
N,N-diethyl-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-amine
CID 3526838
4-[(3S,4E)-2-phenyl-3-sulfanylidene-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine
CID 11865122
(3R,4Z)-3-(2-bromophenyl)imino-N,N-diethyl-2-methyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-amine
CID 39923499
(3R,4E)-N,N-diethyl-2-methyl-3-(2-nitrophenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-amine
CID 25334027
9,9,10-trimethylacridine
CID 610451

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-methyl-3-oxo-N-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine?
The IUPAC name of (4Z)-2-methyl-3-oxo-N-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine (CID 2317458) is (4Z)-2-methyl-3-oxo-N-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine.
What is the SMILES notation for (4Z)-2-methyl-3-oxo-N-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine?
The canonical SMILES for (4Z)-2-methyl-3-oxo-N-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine is CN1/C(=C2/C=NN(C)P2(=O)Nc2ccccc2)C(C)(C)c2ccccc21.
What is the InChIKey of (4Z)-2-methyl-3-oxo-N-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine?
The InChIKey is NQEYPKQBJYCSJW-HNENSFHCSA-N. The full InChI is InChI=1S/C20H23N4OP/c1-20(2)16-12-8-9-13-17(16)23(3)19(20)18-14-21-24(4)26(18,25)22-15-10-6-5-7-11-15/h5-14H,1-4H3,(H,22,25)/b19-18-.
What are the key properties of (4Z)-2-methyl-3-oxo-N-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine?
(4Z)-2-methyl-3-oxo-N-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine has a molecular weight of 366.41 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-methyl-3-oxo-N-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphol-3-amine is sourced from PubChem (CID 2317458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).