N-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline

C33H34NP — CID 102453149

IUPACN-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NP(=C1C=Cc2ccccc21)(c1ccccc1)c1ccccc1
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/h5-25,34H,1-4H3
InChIKeyUXNUAQNXEUYKMR-UHFFFAOYSA-N
MW475.62 g/mol
LogP8.18
Rot. Bonds6

About N-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline

N-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline (PubChem CID 102453149) has the molecular formula C33H34NP and a molecular weight of 475.62 g/mol. Its IUPAC name is N-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline
PubChem CID102453149
Molecular FormulaC33H34NP
Molecular Weight475.62 g/mol
Exact Mass475.24
IUPAC NameN-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NP(=C1C=Cc2ccccc21)(c1ccccc1)c1ccccc1
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/h5-25,34H,1-4H3
InChIKeyUXNUAQNXEUYKMR-UHFFFAOYSA-N
XLogP8.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.62
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline
CID 102170611
bis[[2,6-di(propan-2-yl)anilino]-diphenyl-λ5-phosphanylidene]azanium
CID 139185972
N-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline
CID 58140371
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]-diphenyl-sulfanylidene-λ5-phosphane
CID 139122324
[2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane
CID 139104654
N-benzhydryl-2,6-di(propan-2-yl)aniline
CID 100979408
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid
CID 19764426
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
[2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane
CID 102453146
[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
CID 162409508
CID 162409508

Frequently Asked Questions

What is the IUPAC name of N-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline (CID 102453149) is N-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1NP(=C1C=Cc2ccccc21)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is UXNUAQNXEUYKMR-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/h5-25,34H,1-4H3.
What are the key properties of N-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline?
N-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 475.62 g/mol, XLogP of 8.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 102453149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).