bis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane

C50H78P2 — CID 87285036

IUPACbis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane
SMILESCC1CC(CP(C2C3CC4CC(C3)CC2C4)C2C3CC4CC(C3)CC2C4)C(CP(C2C3CC4CC(C3)CC2C4)C2C3CC4CC(C3)CC2C4)CC1C
InChIInChI=1S/C50H78P2/c1-27-3-45(25-51(47-37-9-29-5-30(11-37)12-38(47)10-29)48-39-13-31-6-32(15-39)16-40(48)14-31)46(4-28(27)2)26-52(49-41-17-33-7-34(19-41)20-42(49)18-33)50-43-21-35-8-36(23-43)24-44(50)22-35/h27-50H,3-26H2,1-2H3
InChIKeyUPYSNZHLZLHODN-UHFFFAOYSA-N
MW741.12 g/mol
LogP13.55
Rot. Bonds8

About bis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane

bis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane (PubChem CID 87285036) has the molecular formula C50H78P2 and a molecular weight of 741.12 g/mol. Its IUPAC name is bis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane.

Molecular Properties

Compound Namebis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane
PubChem CID87285036
Molecular FormulaC50H78P2
Molecular Weight741.12 g/mol
Exact Mass740.56
IUPAC Namebis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane
SMILESCC1CC(CP(C2C3CC4CC(C3)CC2C4)C2C3CC4CC(C3)CC2C4)C(CP(C2C3CC4CC(C3)CC2C4)C2C3CC4CC(C3)CC2C4)CC1C
InChIInChI=1S/C50H78P2/c1-27-3-45(25-51(47-37-9-29-5-30(11-37)12-38(47)10-29)48-39-13-31-6-32(15-39)16-40(48)14-31)46(4-28(27)2)26-52(49-41-17-33-7-34(19-41)20-42(49)18-33)50-43-21-35-8-36(23-43)24-44(50)22-35/h27-50H,3-26H2,1-2H3
InChIKeyUPYSNZHLZLHODN-UHFFFAOYSA-N
XLogP13.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.12
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane
CID 87464174
2-adamantyl-bis(2-methylbutan-2-yl)phosphane
CID 139972819
ethane;2-methyladamantane
CID 90765849
bis(2-adamantyl)-[1-[bis(2-adamantyl)phosphanyl]butyl]phosphane
CID 87940963
adamantane;hydrate
CID 137498586
(1S)-1-methyl-2-[[(2R)-2-methylcyclopropyl]methyl]cyclopropane
CID 59524466
(3R)-2,3-dimethylbicyclo[3.1.1]heptane
CID 143253423
bis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane
CID 66781139
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
1,2-dimethylcyclopropane;propane
CID 143337919
(5S)-2-methylbicyclo[3.2.1]octane
CID 154516111
(2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane
CID 144841146

Frequently Asked Questions

What is the IUPAC name of bis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane?
The IUPAC name of bis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane (CID 87285036) is bis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane.
What is the SMILES notation for bis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane?
The canonical SMILES for bis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane is CC1CC(CP(C2C3CC4CC(C3)CC2C4)C2C3CC4CC(C3)CC2C4)C(CP(C2C3CC4CC(C3)CC2C4)C2C3CC4CC(C3)CC2C4)CC1C.
What is the InChIKey of bis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane?
The InChIKey is UPYSNZHLZLHODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H78P2/c1-27-3-45(25-51(47-37-9-29-5-30(11-37)12-38(47)10-29)48-39-13-31-6-32(15-39)16-40(48)14-31)46(4-28(27)2)26-52(49-41-17-33-7-34(19-41)20-42(49)18-33)50-43-21-35-8-36(23-43)24-44(50)22-35/h27-50H,3-26H2,1-2H3.
What are the key properties of bis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane?
bis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane has a molecular weight of 741.12 g/mol, XLogP of 13.55, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane is sourced from PubChem (CID 87285036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).