[2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane

C66H68N2P2 — CID 139104654

IUPAC[2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane
SMILESCC(C)c1cccc(C(C)C)c1N=P(C1=CCc2ccccc21)(c1ccccc1)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=P(C1=CCc2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C33H34NP/c2*1-24(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/h2*5-21,23-25H,22H2,1-4H3
InChIKeyNQPIHDIHPZWLAC-UHFFFAOYSA-N
MW951.23 g/mol
LogP18.03
Rot. Bonds12

About [2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane

[2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane (PubChem CID 139104654) has the molecular formula C66H68N2P2 and a molecular weight of 951.23 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane
PubChem CID139104654
Molecular FormulaC66H68N2P2
Molecular Weight951.23 g/mol
Exact Mass950.49
IUPAC Name[2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane
SMILESCC(C)c1cccc(C(C)C)c1N=P(C1=CCc2ccccc21)(c1ccccc1)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=P(C1=CCc2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C33H34NP/c2*1-24(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/h2*5-21,23-25H,22H2,1-4H3
InChIKeyNQPIHDIHPZWLAC-UHFFFAOYSA-N
XLogP18.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.23
LogP ≤ 518.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[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;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-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane
CID 139157975
[2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 139122324
7-propan-2-yl-2,3-dihydroinden-1-one
CID 45096604
[2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane
CID 102453146
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
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-[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
bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum
CID 139115698
[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)
CID 11564443

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane?
The IUPAC name of [2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane (CID 139104654) is [2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane is CC(C)c1cccc(C(C)C)c1N=P(C1=CCc2ccccc21)(c1ccccc1)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=P(C1=CCc2ccccc21)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane?
The InChIKey is NQPIHDIHPZWLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H34NP/c2*1-24(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/h2*5-21,23-25H,22H2,1-4H3.
What are the key properties of [2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane?
[2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane has a molecular weight of 951.23 g/mol, XLogP of 18.03, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane is sourced from PubChem (CID 139104654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).