dicyclohexyl-(2,9,9-trimethylxanthen-1-yl)phosphane

C28H37OP — CID 150567523

IUPACdicyclohexyl-(2,9,9-trimethylxanthen-1-yl)phosphane
SMILESCc1ccc2c(c1P(C1CCCCC1)C1CCCCC1)C(C)(C)c1ccccc1O2
InChIInChI=1S/C28H37OP/c1-20-18-19-25-26(28(2,3)23-16-10-11-17-24(23)29-25)27(20)30(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h10-11,16-19,21-22H,4-9,12-15H2,1-3H3
InChIKeyILDHPZCDJBMKRR-UHFFFAOYSA-N
MW420.58 g/mol
LogP8.20
Rot. Bonds3

About dicyclohexyl-(2,9,9-trimethylxanthen-1-yl)phosphane

dicyclohexyl-(2,9,9-trimethylxanthen-1-yl)phosphane (PubChem CID 150567523) has the molecular formula C28H37OP and a molecular weight of 420.58 g/mol. Its IUPAC name is dicyclohexyl-(2,9,9-trimethylxanthen-1-yl)phosphane.

Molecular Properties

Compound Namedicyclohexyl-(2,9,9-trimethylxanthen-1-yl)phosphane
PubChem CID150567523
Molecular FormulaC28H37OP
Molecular Weight420.58 g/mol
Exact Mass420.26
IUPAC Namedicyclohexyl-(2,9,9-trimethylxanthen-1-yl)phosphane
SMILESCc1ccc2c(c1P(C1CCCCC1)C1CCCCC1)C(C)(C)c1ccccc1O2
InChIInChI=1S/C28H37OP/c1-20-18-19-25-26(28(2,3)23-16-10-11-17-24(23)29-25)27(20)30(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h10-11,16-19,21-22H,4-9,12-15H2,1-3H3
InChIKeyILDHPZCDJBMKRR-UHFFFAOYSA-N
XLogP8.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene
CID 177127970
1,2-didecyl-9,9-dimethylxanthene
CID 70130901
1,2-dihexyl-9,9-dimethylxanthene
CID 70129597
1-cyclohexyl-2-methyl-10H-phenoxazine
CID 91149715
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
9,9-dimethylxanthene;triphenylphosphane
CID 175584517
dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane
CID 20606205
9,9-dimethylxanthene;phenylphosphane
CID 155388268
spiro[cyclohexane-1,9'-xanthene]
CID 12861604
dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;ruthenium(2+);diiodide
CID 23179241
1-cyclobutyl-2-methyl-10H-phenoxazine
CID 91801399
N,N,9-trimethylxanthen-9-amine
CID 68833214

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-(2,9,9-trimethylxanthen-1-yl)phosphane?
The IUPAC name of dicyclohexyl-(2,9,9-trimethylxanthen-1-yl)phosphane (CID 150567523) is dicyclohexyl-(2,9,9-trimethylxanthen-1-yl)phosphane.
What is the SMILES notation for dicyclohexyl-(2,9,9-trimethylxanthen-1-yl)phosphane?
The canonical SMILES for dicyclohexyl-(2,9,9-trimethylxanthen-1-yl)phosphane is Cc1ccc2c(c1P(C1CCCCC1)C1CCCCC1)C(C)(C)c1ccccc1O2.
What is the InChIKey of dicyclohexyl-(2,9,9-trimethylxanthen-1-yl)phosphane?
The InChIKey is ILDHPZCDJBMKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37OP/c1-20-18-19-25-26(28(2,3)23-16-10-11-17-24(23)29-25)27(20)30(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h10-11,16-19,21-22H,4-9,12-15H2,1-3H3.
What are the key properties of dicyclohexyl-(2,9,9-trimethylxanthen-1-yl)phosphane?
dicyclohexyl-(2,9,9-trimethylxanthen-1-yl)phosphane has a molecular weight of 420.58 g/mol, XLogP of 8.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(2,9,9-trimethylxanthen-1-yl)phosphane is sourced from PubChem (CID 150567523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).