[6-di(propan-2-yl)phosphaniumylidenecyclohexa-2,4-dien-1-ylidene]-di(propan-2-yl)phosphanium

C18H32P2+2 — CID 175011532

IUPAC[6-di(propan-2-yl)phosphaniumylidenecyclohexa-2,4-dien-1-ylidene]-di(propan-2-yl)phosphanium
SMILESCC(C)[P+](=C1C=CC=CC1=[P+](C(C)C)C(C)C)C(C)C
InChIInChI=1S/C18H32P2/c1-13(2)19(14(3)4)17-11-9-10-12-18(17)20(15(5)6)16(7)8/h9-16H,1-8H3/q+2
InChIKeyODVBDCIVKFMANI-UHFFFAOYSA-N
MW310.40 g/mol
LogP6.05
Rot. Bonds4

About [6-di(propan-2-yl)phosphaniumylidenecyclohexa-2,4-dien-1-ylidene]-di(propan-2-yl)phosphanium

[6-di(propan-2-yl)phosphaniumylidenecyclohexa-2,4-dien-1-ylidene]-di(propan-2-yl)phosphanium (PubChem CID 175011532) has the molecular formula C18H32P2+2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [6-di(propan-2-yl)phosphaniumylidenecyclohexa-2,4-dien-1-ylidene]-di(propan-2-yl)phosphanium.

Molecular Properties

Compound Name[6-di(propan-2-yl)phosphaniumylidenecyclohexa-2,4-dien-1-ylidene]-di(propan-2-yl)phosphanium
PubChem CID175011532
Molecular FormulaC18H32P2+2
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name[6-di(propan-2-yl)phosphaniumylidenecyclohexa-2,4-dien-1-ylidene]-di(propan-2-yl)phosphanium
SMILESCC(C)[P+](=C1C=CC=CC1=[P+](C(C)C)C(C)C)C(C)C
InChIInChI=1S/C18H32P2/c1-13(2)19(14(3)4)17-11-9-10-12-18(17)20(15(5)6)16(7)8/h9-16H,1-8H3/q+2
InChIKeyODVBDCIVKFMANI-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-di(propan-2-yl)phosphaniumylidenecyclohexa-2,4-dien-1-ylidene]-di(propan-2-yl)phosphanium?
The IUPAC name of [6-di(propan-2-yl)phosphaniumylidenecyclohexa-2,4-dien-1-ylidene]-di(propan-2-yl)phosphanium (CID 175011532) is [6-di(propan-2-yl)phosphaniumylidenecyclohexa-2,4-dien-1-ylidene]-di(propan-2-yl)phosphanium.
What is the SMILES notation for [6-di(propan-2-yl)phosphaniumylidenecyclohexa-2,4-dien-1-ylidene]-di(propan-2-yl)phosphanium?
The canonical SMILES for [6-di(propan-2-yl)phosphaniumylidenecyclohexa-2,4-dien-1-ylidene]-di(propan-2-yl)phosphanium is CC(C)[P+](=C1C=CC=CC1=[P+](C(C)C)C(C)C)C(C)C.
What is the InChIKey of [6-di(propan-2-yl)phosphaniumylidenecyclohexa-2,4-dien-1-ylidene]-di(propan-2-yl)phosphanium?
The InChIKey is ODVBDCIVKFMANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32P2/c1-13(2)19(14(3)4)17-11-9-10-12-18(17)20(15(5)6)16(7)8/h9-16H,1-8H3/q+2.
What are the key properties of [6-di(propan-2-yl)phosphaniumylidenecyclohexa-2,4-dien-1-ylidene]-di(propan-2-yl)phosphanium?
[6-di(propan-2-yl)phosphaniumylidenecyclohexa-2,4-dien-1-ylidene]-di(propan-2-yl)phosphanium has a molecular weight of 310.40 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [6-di(propan-2-yl)phosphaniumylidenecyclohexa-2,4-dien-1-ylidene]-di(propan-2-yl)phosphanium is sourced from PubChem (CID 175011532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).