bis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane

C47H66P2 — CID 87464174

IUPACbis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane
SMILESc1ccc(P(C2C3CC4CC(C3)CC2C4)C2C3CC4CC(C3)CC2C4)c(CP(C2C3CC4CC(C3)CC2C4)C2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C47H66P2/c1-2-4-43(49(46-39-17-30-7-31(19-39)20-40(46)18-30)47-41-21-32-8-33(23-41)24-42(47)22-32)34(3-1)25-48(44-35-9-26-5-27(11-35)12-36(44)10-26)45-37-13-28-6-29(15-37)16-38(45)14-28/h1-4,26-33,35-42,44-47H,5-25H2
InChIKeyPOBAIIGYKFAYSH-UHFFFAOYSA-N
MW692.99 g/mol
LogP12.07
Rot. Bonds7

About bis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane

bis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane (PubChem CID 87464174) has the molecular formula C47H66P2 and a molecular weight of 692.99 g/mol. Its IUPAC name is bis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane.

Molecular Properties

Compound Namebis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane
PubChem CID87464174
Molecular FormulaC47H66P2
Molecular Weight692.99 g/mol
Exact Mass692.46
IUPAC Namebis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane
SMILESc1ccc(P(C2C3CC4CC(C3)CC2C4)C2C3CC4CC(C3)CC2C4)c(CP(C2C3CC4CC(C3)CC2C4)C2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C47H66P2/c1-2-4-43(49(46-39-17-30-7-31(19-39)20-40(46)18-30)47-41-21-32-8-33(23-41)24-42(47)22-32)34(3-1)25-48(44-35-9-26-5-27(11-35)12-36(44)10-26)45-37-13-28-6-29(15-37)16-38(45)14-28/h1-4,26-33,35-42,44-47H,5-25H2
InChIKeyPOBAIIGYKFAYSH-UHFFFAOYSA-N
XLogP12.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.99
LogP ≤ 512.07
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)-(naphthalen-1-ylmethyl)phosphane
CID 66781139
bis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane
CID 87285036
N-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride
CID 70365722
N-[(2-bromophenyl)methyl]adamantan-2-amine
CID 3741625
bis(1-adamantyl)-benzylphosphane;palladium
CID 87886000
2-adamantyl(triphenyl)stannane
CID 13131441
N-[(2-methoxyphenyl)methyl]adamantan-2-amine
CID 784414
bis(1-adamantyl)-[[2-[bis(2-methylphenyl)phosphanylmethyl]-4,5-ditert-butylphenyl]methyl]phosphane
CID 87315189
bis(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-[[2-[[1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphanyl]methyl]phenyl]methyl]phosphane
CID 59024494
N-[(2-nitrophenyl)methyl]adamantan-2-amine
CID 792005
N-(2-adamantyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 25371189
3-(2-aminophenyl)-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)propan-1-one;hydrochloride
CID 120609700

Frequently Asked Questions

What is the IUPAC name of bis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane?
The IUPAC name of bis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane (CID 87464174) is bis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane.
What is the SMILES notation for bis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane?
The canonical SMILES for bis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane is c1ccc(P(C2C3CC4CC(C3)CC2C4)C2C3CC4CC(C3)CC2C4)c(CP(C2C3CC4CC(C3)CC2C4)C2C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of bis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane?
The InChIKey is POBAIIGYKFAYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H66P2/c1-2-4-43(49(46-39-17-30-7-31(19-39)20-40(46)18-30)47-41-21-32-8-33(23-41)24-42(47)22-32)34(3-1)25-48(44-35-9-26-5-27(11-35)12-36(44)10-26)45-37-13-28-6-29(15-37)16-38(45)14-28/h1-4,26-33,35-42,44-47H,5-25H2.
What are the key properties of bis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane?
bis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane has a molecular weight of 692.99 g/mol, XLogP of 12.07, 7 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]phenyl]phosphane is sourced from PubChem (CID 87464174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).