bis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl]phosphane

C54H60P2 — CID 118353007

IUPACbis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl]phosphane
SMILESCc1ccccc1C(P)(c1ccccc1C)c1cc(-c2ccccc2)c(-c2ccccc2)cc1CP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C54H60P2/c1-36-13-9-11-19-49(36)54(55,50-20-12-10-14-37(50)2)51-28-48(45-17-7-4-8-18-45)47(44-15-5-3-6-16-44)27-46(51)35-56(52-29-38-21-39(30-52)23-40(22-38)31-52)53-32-41-24-42(33-53)26-43(25-41)34-53/h3-20,27-28,38-43H,21-26,29-35,55H2,1-2H3
InChIKeyCWXZZAOHWLGJJC-UHFFFAOYSA-N
MW771.02 g/mol
LogP14.72
Rot. Bonds9

About bis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl]phosphane

bis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl]phosphane (PubChem CID 118353007) has the molecular formula C54H60P2 and a molecular weight of 771.02 g/mol. Its IUPAC name is bis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl]phosphane.

Molecular Properties

Compound Namebis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl]phosphane
PubChem CID118353007
Molecular FormulaC54H60P2
Molecular Weight771.02 g/mol
Exact Mass770.42
IUPAC Namebis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl]phosphane
SMILESCc1ccccc1C(P)(c1ccccc1C)c1cc(-c2ccccc2)c(-c2ccccc2)cc1CP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C54H60P2/c1-36-13-9-11-19-49(36)54(55,50-20-12-10-14-37(50)2)51-28-48(45-17-7-4-8-18-45)47(44-15-5-3-6-16-44)27-46(51)35-56(52-29-38-21-39(30-52)23-40(22-38)31-52)53-32-41-24-42(33-53)26-43(25-41)34-53/h3-20,27-28,38-43H,21-26,29-35,55H2,1-2H3
InChIKeyCWXZZAOHWLGJJC-UHFFFAOYSA-N
XLogP14.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.02
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]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

bis(1-adamantyl)-[[2-[bis(2-methylphenyl)phosphanylmethyl]-4,5-ditert-butylphenyl]methyl]phosphane
CID 87315189
bis(1-adamantyl)-[[4,5-ditert-butyl-2-[phosphanyl-bis(1H-pyrrol-2-yl)methyl]phenyl]methyl]phosphane
CID 140667827
[2-[bis(1-adamantyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl-dipyridin-2-ylphosphane
CID 87343489
bis(1-adamantyl)-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane
CID 87284879
bis(1-adamantyl)-[[2-[bis(1-adamantyl)phosphanylmethyl]-4,5-ditert-butylphenyl]methyl]phosphane
CID 87463484
bis(1-adamantyl)-benzylphosphane;palladium
CID 87886000
bis(1-adamantyl)-[[2-[bis(1,3-diazinan-2-yl)-phosphanylmethyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane
CID 140667851
bis(1-adamantyl)-[[2-[phosphanyl-di(pyrrolidin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane
CID 140667836
bis(1-adamantyl)-[[4,5-diphenyl-2-[phosphanyl-di(pyrrolidin-2-yl)methyl]cyclopenta-1,3-dien-1-yl]methyl]phosphane;cyclopenta-1,3-diene;iron(2+)
CID 159117950
bis(1-adamantyl)-[[4-tert-butyl-2-(dipyridin-2-ylphosphanylmethyl)phenyl]methyl]phosphane
CID 87343531
bis(1-adamantyl)-[[2-[1,3,5,7-tetramethyl-8-(phosphanylmethyl)-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl]phenyl]methyl]phosphane
CID 87461679
[(2-methylphenyl)-diphenylmethyl]phosphane
CID 90111831

Frequently Asked Questions

What is the IUPAC name of bis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl]phosphane?
The IUPAC name of bis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl]phosphane (CID 118353007) is bis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl]phosphane.
What is the SMILES notation for bis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl]phosphane?
The canonical SMILES for bis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl]phosphane is Cc1ccccc1C(P)(c1ccccc1C)c1cc(-c2ccccc2)c(-c2ccccc2)cc1CP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of bis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl]phosphane?
The InChIKey is CWXZZAOHWLGJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H60P2/c1-36-13-9-11-19-49(36)54(55,50-20-12-10-14-37(50)2)51-28-48(45-17-7-4-8-18-45)47(44-15-5-3-6-16-44)27-46(51)35-56(52-29-38-21-39(30-52)23-40(22-38)31-52)53-32-41-24-42(33-53)26-43(25-41)34-53/h3-20,27-28,38-43H,21-26,29-35,55H2,1-2H3.
What are the key properties of bis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl]phosphane?
bis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl]phosphane has a molecular weight of 771.02 g/mol, XLogP of 14.72, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-adamantyl)-[[2-[bis(2-methylphenyl)-phosphanylmethyl]-4,5-diphenylphenyl]methyl]phosphane is sourced from PubChem (CID 118353007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).