[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-[2,6-di(propan-2-yl)phenyl]azanide

C26H39NP- — CID 58140357

IUPAC[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-[2,6-di(propan-2-yl)phenyl]azanide
SMILESCC(C)c1cccc(C(C)C)c1[N-]P(C)(C)=C1C=C2C(=C1)C(C)(C)CC2(C)C
InChIInChI=1S/C26H39NP/c1-17(2)20-12-11-13-21(18(3)4)24(20)27-28(9,10)19-14-22-23(15-19)26(7,8)16-25(22,5)6/h11-15,17-18H,16H2,1-10H3/q-1
InChIKeyVUBBFXJHUGGGSF-UHFFFAOYSA-N
MW396.58 g/mol
LogP8.63
Rot. Bonds4

About [dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-[2,6-di(propan-2-yl)phenyl]azanide

[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-[2,6-di(propan-2-yl)phenyl]azanide (PubChem CID 58140357) has the molecular formula C26H39NP- and a molecular weight of 396.58 g/mol. Its IUPAC name is [dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-[2,6-di(propan-2-yl)phenyl]azanide.

Molecular Properties

Compound Name[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-[2,6-di(propan-2-yl)phenyl]azanide
PubChem CID58140357
Molecular FormulaC26H39NP-
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-[2,6-di(propan-2-yl)phenyl]azanide
SMILESCC(C)c1cccc(C(C)C)c1[N-]P(C)(C)=C1C=C2C(=C1)C(C)(C)CC2(C)C
InChIInChI=1S/C26H39NP/c1-17(2)20-12-11-13-21(18(3)4)24(20)27-28(9,10)19-14-22-23(15-19)26(7,8)16-25(22,5)6/h11-15,17-18H,16H2,1-10H3/q-1
InChIKeyVUBBFXJHUGGGSF-UHFFFAOYSA-N
XLogP8.63
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-[2,6-di(propan-2-yl)phenyl]azanide?
The IUPAC name of [dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-[2,6-di(propan-2-yl)phenyl]azanide (CID 58140357) is [dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-[2,6-di(propan-2-yl)phenyl]azanide.
What is the SMILES notation for [dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-[2,6-di(propan-2-yl)phenyl]azanide?
The canonical SMILES for [dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-[2,6-di(propan-2-yl)phenyl]azanide is CC(C)c1cccc(C(C)C)c1[N-]P(C)(C)=C1C=C2C(=C1)C(C)(C)CC2(C)C.
What is the InChIKey of [dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-[2,6-di(propan-2-yl)phenyl]azanide?
The InChIKey is VUBBFXJHUGGGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NP/c1-17(2)20-12-11-13-21(18(3)4)24(20)27-28(9,10)19-14-22-23(15-19)26(7,8)16-25(22,5)6/h11-15,17-18H,16H2,1-10H3/q-1.
What are the key properties of [dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-[2,6-di(propan-2-yl)phenyl]azanide?
[dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-[2,6-di(propan-2-yl)phenyl]azanide has a molecular weight of 396.58 g/mol, XLogP of 8.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-[2,6-di(propan-2-yl)phenyl]azanide is sourced from PubChem (CID 58140357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).