1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene

C27H33OP — CID 54050857

IUPAC1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(P(=O)(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C27H33OP/c1-19(2)22-7-13-25(14-8-22)29(28,26-15-9-23(10-16-26)20(3)4)27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3
InChIKeyLSTPPRXYXIBZNL-UHFFFAOYSA-N
MW404.53 g/mol
LogP6.70
Rot. Bonds6

About 1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene

1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene (PubChem CID 54050857) has the molecular formula C27H33OP and a molecular weight of 404.53 g/mol. Its IUPAC name is 1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene
PubChem CID54050857
Molecular FormulaC27H33OP
Molecular Weight404.53 g/mol
Exact Mass404.23
IUPAC Name1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(P(=O)(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C27H33OP/c1-19(2)22-7-13-25(14-8-22)29(28,26-15-9-23(10-16-26)20(3)4)27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3
InChIKeyLSTPPRXYXIBZNL-UHFFFAOYSA-N
XLogP6.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.53
LogP ≤ 56.70
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

1,4-di(propan-2-yl)benzene;phosphoric acid
CID 174794178
1-dimethoxyphosphoryl-4-propan-2-ylbenzene
CID 102363229
molecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid
CID 170613639
1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene
CID 20772007
dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane
CID 141230622
4-(4-propan-2-ylphenyl)phosphinine
CID 142128877
1-[(1S)-1-bromoethyl]-4-propan-2-ylbenzene
CID 94675608
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
methyl-oxo-(4-propan-2-ylphenyl)azanium
CID 167560461
1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene
CID 91306143
4-propan-2-ylbenzaldehyde
CID 326
CID 145383869
CID 145383869

Frequently Asked Questions

What is the IUPAC name of 1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene?
The IUPAC name of 1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene (CID 54050857) is 1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene.
What is the SMILES notation for 1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene?
The canonical SMILES for 1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene is CC(C)c1ccc(P(=O)(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene?
The InChIKey is LSTPPRXYXIBZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33OP/c1-19(2)22-7-13-25(14-8-22)29(28,26-15-9-23(10-16-26)20(3)4)27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3.
What are the key properties of 1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene?
1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene has a molecular weight of 404.53 g/mol, XLogP of 6.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene is sourced from PubChem (CID 54050857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).