[2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane

C33H34NP — CID 102453146

IUPAC[2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane
SMILESCC(C)c1cccc(C(C)C)c1N=P(c1ccccc1)(c1ccccc1)C1C=Cc2ccccc21
InChIInChI=1S/C33H34NP/c1-24(2)29-20-13-21-30(25(3)4)33(29)34-35(27-15-7-5-8-16-27,28-17-9-6-10-18-28)32-23-22-26-14-11-12-19-31(26)32/h5-25,32H,1-4H3
InChIKeyJFIQFRPSDWCGFB-UHFFFAOYSA-N
MW475.62 g/mol
LogP9.19
Rot. Bonds6

About [2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane

[2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane (PubChem CID 102453146) has the molecular formula C33H34NP and a molecular weight of 475.62 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane
PubChem CID102453146
Molecular FormulaC33H34NP
Molecular Weight475.62 g/mol
Exact Mass475.24
IUPAC Name[2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane
SMILESCC(C)c1cccc(C(C)C)c1N=P(c1ccccc1)(c1ccccc1)C1C=Cc2ccccc21
InChIInChI=1S/C33H34NP/c1-24(2)29-20-13-21-30(25(3)4)33(29)34-35(27-15-7-5-8-16-27,28-17-9-6-10-18-28)32-23-22-26-14-11-12-19-31(26)32/h5-25,32H,1-4H3
InChIKeyJFIQFRPSDWCGFB-UHFFFAOYSA-N
XLogP9.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.62
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium
CID 58140353
[2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane
CID 15899198
carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)
CID 58140367
N-[(E)-[2-(1H-inden-1-yl)phenyl]methylideneamino]-2,6-di(propan-2-yl)aniline
CID 23014684
carbanide;N-[cyclopenta-2,4-dien-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+))
CID 162281065
[2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane
CID 139157975
[2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane
CID 139104654
[2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 139122324
N-[1-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphanyl]prop-1-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 5242446
N-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline
CID 102453149
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937266

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane?
The IUPAC name of [2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane (CID 102453146) is [2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane is CC(C)c1cccc(C(C)C)c1N=P(c1ccccc1)(c1ccccc1)C1C=Cc2ccccc21.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane?
The InChIKey is JFIQFRPSDWCGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34NP/c1-24(2)29-20-13-21-30(25(3)4)33(29)34-35(27-15-7-5-8-16-27,28-17-9-6-10-18-28)32-23-22-26-14-11-12-19-31(26)32/h5-25,32H,1-4H3.
What are the key properties of [2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane?
[2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane has a molecular weight of 475.62 g/mol, XLogP of 9.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane is sourced from PubChem (CID 102453146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).