bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium

C26H45P2+ — CID 88798842

IUPACbis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium
SMILESCC1CCC(C(C)C)C([P+](P)(c2ccccc2)C2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C26H45P2/c1-18(2)23-14-12-20(5)16-25(23)28(27,22-10-8-7-9-11-22)26-17-21(6)13-15-24(26)19(3)4/h7-11,18-21,23-26H,12-17,27H2,1-6H3/q+1
InChIKeyIGBHAVJLYPHJPP-UHFFFAOYSA-N
MW419.59 g/mol
LogP8.04
Rot. Bonds5

About bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium

bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium (PubChem CID 88798842) has the molecular formula C26H45P2+ and a molecular weight of 419.59 g/mol. Its IUPAC name is bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium.

Molecular Properties

Compound Namebis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium
PubChem CID88798842
Molecular FormulaC26H45P2+
Molecular Weight419.59 g/mol
Exact Mass419.30
IUPAC Namebis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium
SMILESCC1CCC(C(C)C)C([P+](P)(c2ccccc2)C2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C26H45P2/c1-18(2)23-14-12-20(5)16-25(23)28(27,22-10-8-7-9-11-22)26-17-21(6)13-15-24(26)19(3)4/h7-11,18-21,23-26H,12-17,27H2,1-6H3/q+1
InChIKeyIGBHAVJLYPHJPP-UHFFFAOYSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.59
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 98053481
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 2734569
(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane
CID 16695575
CID 10096491
CID 10096491
CID 10277160
CID 10277160
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
benzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane
CID 562813
(5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium
CID 12847229
N-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline
CID 21407160
5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81350586
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfanylmethylbenzene
CID 100954560
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111

Frequently Asked Questions

What is the IUPAC name of bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium?
The IUPAC name of bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium (CID 88798842) is bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium.
What is the SMILES notation for bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium?
The canonical SMILES for bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium is CC1CCC(C(C)C)C([P+](P)(c2ccccc2)C2CC(C)CCC2C(C)C)C1.
What is the InChIKey of bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium?
The InChIKey is IGBHAVJLYPHJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45P2/c1-18(2)23-14-12-20(5)16-25(23)28(27,22-10-8-7-9-11-22)26-17-21(6)13-15-24(26)19(3)4/h7-11,18-21,23-26H,12-17,27H2,1-6H3/q+1.
What are the key properties of bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium?
bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium has a molecular weight of 419.59 g/mol, XLogP of 8.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium is sourced from PubChem (CID 88798842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).