N-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline

C36H44NP — CID 58140371

IUPACN-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NP(=C1C=C2C(=C1)C(C)(C)CC2(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H44NP/c1-25(2)30-20-15-21-31(26(3)4)34(30)37-38(27-16-11-9-12-17-27,28-18-13-10-14-19-28)29-22-32-33(23-29)36(7,8)24-35(32,5)6/h9-23,25-26,37H,24H2,1-8H3
InChIKeyLASKRANOKXVOHF-UHFFFAOYSA-N
MW521.73 g/mol
LogP9.42
Rot. Bonds6

About N-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline

N-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline (PubChem CID 58140371) has the molecular formula C36H44NP and a molecular weight of 521.73 g/mol. Its IUPAC name is N-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline
PubChem CID58140371
Molecular FormulaC36H44NP
Molecular Weight521.73 g/mol
Exact Mass521.32
IUPAC NameN-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NP(=C1C=C2C(=C1)C(C)(C)CC2(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H44NP/c1-25(2)30-20-15-21-31(26(3)4)34(30)37-38(27-16-11-9-12-17-27,28-18-13-10-14-19-28)29-22-32-33(23-29)36(7,8)24-35(32,5)6/h9-23,25-26,37H,24H2,1-8H3
InChIKeyLASKRANOKXVOHF-UHFFFAOYSA-N
XLogP9.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.73
LogP ≤ 59.42
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

[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-[2,6-di(propan-2-yl)phenyl]azanide
CID 58140357
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-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline
CID 102453149
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
aziridine;1,2-di(propan-2-yl)benzene
CID 88841585
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-[[2,6-di(propan-2-yl)anilino]-di(propan-2-yl)silyl]-2,6-di(propan-2-yl)aniline
CID 139132579
1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-2,4-diphenylpyrrolidine
CID 162435803
3-(2-propan-2-ylphenyl)oxetane-3-carboxylic acid
CID 167456442

Frequently Asked Questions

What is the IUPAC name of N-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline (CID 58140371) is N-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1NP(=C1C=C2C(=C1)C(C)(C)CC2(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is LASKRANOKXVOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44NP/c1-25(2)30-20-15-21-31(26(3)4)34(30)37-38(27-16-11-9-12-17-27,28-18-13-10-14-19-28)29-22-32-33(23-29)36(7,8)24-35(32,5)6/h9-23,25-26,37H,24H2,1-8H3.
What are the key properties of N-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline?
N-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 521.73 g/mol, XLogP of 9.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 58140371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).