[2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane

C30H37P — CID 155666034

IUPAC[2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane
SMILESCP(C)Cc1ccccc1-c1ccc(C(C)(C)C)c2c1Cc1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C30H37P/c1-29(2,3)22-13-14-24-21(17-22)18-26-25(15-16-27(28(24)26)30(4,5)6)23-12-10-9-11-20(23)19-31(7)8/h9-17H,18-19H2,1-8H3
InChIKeyXSZSRILTZLKRRX-UHFFFAOYSA-N
MW428.60 g/mol
LogP8.76
Rot. Bonds3

About [2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane

[2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane (PubChem CID 155666034) has the molecular formula C30H37P and a molecular weight of 428.60 g/mol. Its IUPAC name is [2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane.

Molecular Properties

Compound Name[2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane
PubChem CID155666034
Molecular FormulaC30H37P
Molecular Weight428.60 g/mol
Exact Mass428.26
IUPAC Name[2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane
SMILESCP(C)Cc1ccccc1-c1ccc(C(C)(C)C)c2c1Cc1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C30H37P/c1-29(2,3)22-13-14-24-21(17-22)18-26-25(15-16-27(28(24)26)30(4,5)6)23-12-10-9-11-20(23)19-31(7)8/h9-17H,18-19H2,1-8H3
InChIKeyXSZSRILTZLKRRX-UHFFFAOYSA-N
XLogP8.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.60
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane 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

CID 23078665
CID 23078665
3-cyclopenta-1,3-dien-1-yl-2-(2,7-ditert-butyl-9H-fluoren-1-yl)-4-methyl-1,9-dihydrofluoren-1-ide;zirconium
CID 174349240
benzhydrylidenezirconium(2+);2-[[2-(2,7-ditert-butyl-9H-fluoren-1-yl)cyclopenta-2,4-dien-1-yl]methyl]prop-2-enyl-trimethylsilane;dichloride
CID 175715989
4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol
CID 151591558
1,2,3,4-tetrakis(2,4-ditert-butylphenyl)biphenylene
CID 18188427
2,7-ditert-butyl-1-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-2-enyl)-9H-fluorene;zirconium(2+);dichloride
CID 173043554
bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane
CID 160769436
2,7-ditert-butyl-1-(cyclohexyl-cyclopenta-2,4-dien-1-yl-phenylmethyl)-9H-fluorene
CID 150160280
1,3-ditert-butyl-9H-fluorene
CID 175163483
2,10-ditert-butyltetraphenylene
CID 159208403
carbanide;tetrakis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);10,12-dihydroindeno[2,1-b]fluorene;ethane;propane;(yttrium)
CID 157436850
cyclopentyl-(2,7-ditert-butyl-9H-fluoren-1-yl)-dimethoxysilane
CID 139803084

Frequently Asked Questions

What is the IUPAC name of [2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane?
The IUPAC name of [2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane (CID 155666034) is [2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane.
What is the SMILES notation for [2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane?
The canonical SMILES for [2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane is CP(C)Cc1ccccc1-c1ccc(C(C)(C)C)c2c1Cc1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of [2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane?
The InChIKey is XSZSRILTZLKRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37P/c1-29(2,3)22-13-14-24-21(17-22)18-26-25(15-16-27(28(24)26)30(4,5)6)23-12-10-9-11-20(23)19-31(7)8/h9-17H,18-19H2,1-8H3.
What are the key properties of [2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane?
[2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane has a molecular weight of 428.60 g/mol, XLogP of 8.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,7-ditert-butyl-9H-fluoren-1-yl)phenyl]methyl-dimethylphosphane is sourced from PubChem (CID 155666034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).