ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane

C36H58P2 — CID 135305318

IUPACditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane
SMILESCC(C)(C)P(CC1C(c2ccccc2)CCC(c2ccccc2)C1CP(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C36H58P2/c1-33(2,3)37(34(4,5)6)25-31-29(27-19-15-13-16-20-27)23-24-30(28-21-17-14-18-22-28)32(31)26-38(35(7,8)9)36(10,11)12/h13-22,29-32H,23-26H2,1-12H3
InChIKeyFCHTUMACJWTJMZ-UHFFFAOYSA-N
MW552.81 g/mol
LogP11.74
Rot. Bonds6

About ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane

ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane (PubChem CID 135305318) has the molecular formula C36H58P2 and a molecular weight of 552.81 g/mol. Its IUPAC name is ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane
PubChem CID135305318
Molecular FormulaC36H58P2
Molecular Weight552.81 g/mol
Exact Mass552.40
IUPAC Nameditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane
SMILESCC(C)(C)P(CC1C(c2ccccc2)CCC(c2ccccc2)C1CP(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C36H58P2/c1-33(2,3)37(34(4,5)6)25-31-29(27-19-15-13-16-20-27)23-24-30(28-21-17-14-18-22-28)32(31)26-38(35(7,8)9)36(10,11)12/h13-22,29-32H,23-26H2,1-12H3
InChIKeyFCHTUMACJWTJMZ-UHFFFAOYSA-N
XLogP11.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.81
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane 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

[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
[(1R,2R)-2-phenylcyclobutyl]methanamine
CID 121206987
cis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine
CID 102179465
(3-benzyl-2-ethylcyclopentyl)benzene
CID 165353387
[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
ditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane
CID 137471998
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
ditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane
CID 122364984
2-ethyl-3-phenylpyrrolidine
CID 62354556
[(1S,2S)-2-phenylcyclobutyl]methanol
CID 99991987

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane?
The IUPAC name of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane (CID 135305318) is ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane.
What is the SMILES notation for ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane?
The canonical SMILES for ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane is CC(C)(C)P(CC1C(c2ccccc2)CCC(c2ccccc2)C1CP(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane?
The InChIKey is FCHTUMACJWTJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H58P2/c1-33(2,3)37(34(4,5)6)25-31-29(27-19-15-13-16-20-27)23-24-30(28-21-17-14-18-22-28)32(31)26-38(35(7,8)9)36(10,11)12/h13-22,29-32H,23-26H2,1-12H3.
What are the key properties of ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane?
ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane has a molecular weight of 552.81 g/mol, XLogP of 11.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane is sourced from PubChem (CID 135305318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).