bis(3,5-dimethylpyrazol-1-yl)methyl-diphenyl-phenylimino-λ5-phosphane

C29H30N5P — CID 102337921

IUPACbis(3,5-dimethylpyrazol-1-yl)methyl-diphenyl-phenylimino-λ5-phosphane
SMILESCc1cc(C)n(C(n2nc(C)cc2C)P(=Nc2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C29H30N5P/c1-22-20-24(3)33(30-22)29(34-25(4)21-23(2)31-34)35(27-16-10-6-11-17-27,28-18-12-7-13-19-28)32-26-14-8-5-9-15-26/h5-21,29H,1-4H3
InChIKeyRWEIWUCKDLTUNK-UHFFFAOYSA-N
MW479.57 g/mol
LogP6.50
Rot. Bonds6

About bis(3,5-dimethylpyrazol-1-yl)methyl-diphenyl-phenylimino-λ5-phosphane

bis(3,5-dimethylpyrazol-1-yl)methyl-diphenyl-phenylimino-λ5-phosphane (PubChem CID 102337921) has the molecular formula C29H30N5P and a molecular weight of 479.57 g/mol. Its IUPAC name is bis(3,5-dimethylpyrazol-1-yl)methyl-diphenyl-phenylimino-λ5-phosphane.

Molecular Properties

Compound Namebis(3,5-dimethylpyrazol-1-yl)methyl-diphenyl-phenylimino-λ5-phosphane
PubChem CID102337921
Molecular FormulaC29H30N5P
Molecular Weight479.57 g/mol
Exact Mass479.22
IUPAC Namebis(3,5-dimethylpyrazol-1-yl)methyl-diphenyl-phenylimino-λ5-phosphane
SMILESCc1cc(C)n(C(n2nc(C)cc2C)P(=Nc2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C29H30N5P/c1-22-20-24(3)33(30-22)29(34-25(4)21-23(2)31-34)35(27-16-10-6-11-17-27,28-18-12-7-13-19-28)32-26-14-8-5-9-15-26/h5-21,29H,1-4H3
InChIKeyRWEIWUCKDLTUNK-UHFFFAOYSA-N
XLogP6.50
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.57
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-phenylimino-propan-2-yl-lambda5-phosphane
CID 13452466
(3,5-dimethylpyrazol-1-yl)-diphenyl-sulfanylidene-λ5-phosphane
CID 71396910
(2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol
CID 1120787
1-(3,5-dimethylpyrazol-1-yl)ethanol
CID 70567807
1-(1-bromoethyl)-3,5-dimethylpyrazole
CID 86146803
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716
(3,5-dimethylpyrazol-1-yl)-diphenylgallane
CID 134998652
2,2-bis(3,5-dimethylpyrazol-1-yl)acetic acid;dichlororuthenium;triphenylphosphanium
CID 6394205
methyl-phenylimino-di(propan-2-yl)-λ5-phosphane
CID 101188333
tetrakis(1-[bis(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole);bis(iron(2+));tetratetrafluoroborate
CID 139136664
1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 55022520

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethylpyrazol-1-yl)methyl-diphenyl-phenylimino-λ5-phosphane?
The IUPAC name of bis(3,5-dimethylpyrazol-1-yl)methyl-diphenyl-phenylimino-λ5-phosphane (CID 102337921) is bis(3,5-dimethylpyrazol-1-yl)methyl-diphenyl-phenylimino-λ5-phosphane.
What is the SMILES notation for bis(3,5-dimethylpyrazol-1-yl)methyl-diphenyl-phenylimino-λ5-phosphane?
The canonical SMILES for bis(3,5-dimethylpyrazol-1-yl)methyl-diphenyl-phenylimino-λ5-phosphane is Cc1cc(C)n(C(n2nc(C)cc2C)P(=Nc2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of bis(3,5-dimethylpyrazol-1-yl)methyl-diphenyl-phenylimino-λ5-phosphane?
The InChIKey is RWEIWUCKDLTUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N5P/c1-22-20-24(3)33(30-22)29(34-25(4)21-23(2)31-34)35(27-16-10-6-11-17-27,28-18-12-7-13-19-28)32-26-14-8-5-9-15-26/h5-21,29H,1-4H3.
What are the key properties of bis(3,5-dimethylpyrazol-1-yl)methyl-diphenyl-phenylimino-λ5-phosphane?
bis(3,5-dimethylpyrazol-1-yl)methyl-diphenyl-phenylimino-λ5-phosphane has a molecular weight of 479.57 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethylpyrazol-1-yl)methyl-diphenyl-phenylimino-λ5-phosphane is sourced from PubChem (CID 102337921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).