bis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl]phosphane

C41H48P2 — CID 87241816

IUPACbis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl]phosphane
SMILESCc1ccccc1P(Cc1cc(C(C)(C)c2ccccc2)ccc1C12CC3CC(CC(C3)C1CP)C2)c1ccccc1C
InChIInChI=1S/C41H48P2/c1-28-12-8-10-16-38(28)43(39-17-11-9-13-29(39)2)27-33-23-35(40(3,4)34-14-6-5-7-15-34)18-19-36(33)41-24-30-20-31(25-41)22-32(21-30)37(41)26-42/h5-19,23,30-32,37H,20-22,24-27,42H2,1-4H3
InChIKeyMDRFHYGJSCEDPM-UHFFFAOYSA-N
MW602.78 g/mol
LogP9.83
Rot. Bonds8

About bis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl]phosphane

bis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl]phosphane (PubChem CID 87241816) has the molecular formula C41H48P2 and a molecular weight of 602.78 g/mol. Its IUPAC name is bis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl]phosphane.

Molecular Properties

Compound Namebis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl]phosphane
PubChem CID87241816
Molecular FormulaC41H48P2
Molecular Weight602.78 g/mol
Exact Mass602.32
IUPAC Namebis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl]phosphane
SMILESCc1ccccc1P(Cc1cc(C(C)(C)c2ccccc2)ccc1C12CC3CC(CC(C3)C1CP)C2)c1ccccc1C
InChIInChI=1S/C41H48P2/c1-28-12-8-10-16-38(28)43(39-17-11-9-13-29(39)2)27-33-23-35(40(3,4)34-14-6-5-7-15-34)18-19-36(33)41-24-30-20-31(25-41)22-32(21-30)37(41)26-42/h5-19,23,30-32,37H,20-22,24-27,42H2,1-4H3
InChIKeyMDRFHYGJSCEDPM-UHFFFAOYSA-N
XLogP9.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]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

[4,5-bis(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl-dipyridin-2-ylphosphane
CID 87343471
bis(1-adamantyl)-[[2-[bis(2-methylphenyl)phosphanylmethyl]-4,5-ditert-butylphenyl]methyl]phosphane
CID 87315189
[1-[4-tert-butyl-2-[phosphanyl(dipyridin-2-yl)methyl]phenyl]-2-adamantyl]methylphosphane
CID 87343545
bis(2-methylphenyl)-[[2-[2-(phosphanylmethyl)-2-adamantyl]-5-trimethylsilylphenyl]methyl]phosphane
CID 87241751
N-(2-phenylpropan-2-yl)adamantan-1-amine
CID 102026641
[1-[2-[bis(1,3-diazinan-2-yl)-phosphanylmethyl]-4-tert-butylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane
CID 158140545
[1-[4,5-diphenyl-2-[phosphanyl-bis(1H-pyrrol-3-yl)methyl]cyclopenta-1,3-dien-1-yl]-2-adamantyl]methylphosphane
CID 158941198
[2-[bis[(3,5-dimethyl-1-adamantyl)phosphanyl]methyl]phenyl]methyl-bis(2-methylphenyl)phosphane
CID 87241694
bis(1-adamantyl)-[[4-tert-butyl-2-(dipyridin-2-ylphosphanylmethyl)phenyl]methyl]phosphane
CID 87343531
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
CID 159818582
2-phenylpropan-2-ylbenzene
CID 13065
bis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl]phosphane
CID 118353007

Frequently Asked Questions

What is the IUPAC name of bis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl]phosphane?
The IUPAC name of bis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl]phosphane (CID 87241816) is bis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl]phosphane.
What is the SMILES notation for bis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl]phosphane?
The canonical SMILES for bis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl]phosphane is Cc1ccccc1P(Cc1cc(C(C)(C)c2ccccc2)ccc1C12CC3CC(CC(C3)C1CP)C2)c1ccccc1C.
What is the InChIKey of bis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl]phosphane?
The InChIKey is MDRFHYGJSCEDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48P2/c1-28-12-8-10-16-38(28)43(39-17-11-9-13-29(39)2)27-33-23-35(40(3,4)34-14-6-5-7-15-34)18-19-36(33)41-24-30-20-31(25-41)22-32(21-30)37(41)26-42/h5-19,23,30-32,37H,20-22,24-27,42H2,1-4H3.
What are the key properties of bis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl]phosphane?
bis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl]phosphane has a molecular weight of 602.78 g/mol, XLogP of 9.83, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylphenyl)-[[5-(2-phenylpropan-2-yl)-2-[2-(phosphanylmethyl)-1-adamantyl]phenyl]methyl]phosphane is sourced from PubChem (CID 87241816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).