[(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene

C26H31OP — CID 15423949

IUPAC[(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene
SMILESCC(C)(C)P(=O)(C1=CC=CC1=C(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H31OP/c1-25(2,3)28(27,26(4,5)6)23-19-13-18-22(23)24(20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-19H,1-6H3
InChIKeyYMFPCHMPZBYMQV-UHFFFAOYSA-N
MW390.51 g/mol
LogP7.90
Rot. Bonds3

About [(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene

[(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene (PubChem CID 15423949) has the molecular formula C26H31OP and a molecular weight of 390.51 g/mol. Its IUPAC name is [(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene.

Molecular Properties

Compound Name[(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene
PubChem CID15423949
Molecular FormulaC26H31OP
Molecular Weight390.51 g/mol
Exact Mass390.21
IUPAC Name[(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene
SMILESCC(C)(C)P(=O)(C1=CC=CC1=C(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H31OP/c1-25(2,3)28(27,26(4,5)6)23-19-13-18-22(23)24(20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-19H,1-6H3
InChIKeyYMFPCHMPZBYMQV-UHFFFAOYSA-N
XLogP7.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 57.90
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

ditert-butyl-sulfanylidene-(1,2,2-triphenylethenyl)-λ5-phosphane
CID 22623381
tripotassium;benzoic acid;phosphate
CID 174758799
1-dimethylphosphorylethenylbenzene
CID 89402997
1-dimethylphosphoryloxyethenylbenzene
CID 12869457
[(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid
CID 152733650
[(E)-2-chloro-1-dimethoxyphosphoryl-2-phenylethenyl]benzene
CID 15833901
2,2-dimethylpropane;diphenylmethanone
CID 159191976
N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine
CID 71427934
benzoic acid;tert-butyl acetate
CID 143820890
[[2-(cyclopenta-1,4-dien-1-ylmethyl)cyclopenta-2,4-dien-1-ylidene]-phenylmethyl]benzene
CID 173171770
1-(cyclobutadienyl)propan-2-yl benzoate
CID 144691187
benzoic acid;methanol
CID 67901482

Frequently Asked Questions

What is the IUPAC name of [(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene?
The IUPAC name of [(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene (CID 15423949) is [(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene.
What is the SMILES notation for [(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene?
The canonical SMILES for [(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene is CC(C)(C)P(=O)(C1=CC=CC1=C(c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of [(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene?
The InChIKey is YMFPCHMPZBYMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31OP/c1-25(2,3)28(27,26(4,5)6)23-19-13-18-22(23)24(20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-19H,1-6H3.
What are the key properties of [(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene?
[(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene has a molecular weight of 390.51 g/mol, XLogP of 7.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene is sourced from PubChem (CID 15423949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).