benzhydryl-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)phosphane

C22H23P — CID 89403313

IUPACbenzhydryl-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)phosphane
SMILESCC(C)(C)C1=C/C(=P/C(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C22H23P/c1-22(2,3)19-14-15-20(16-19)23-21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,21H,1-3H3
InChIKeyPPYKJYYHTYAHDS-UHFFFAOYSA-N
MW318.40 g/mol
LogP6.44
Rot. Bonds3

About benzhydryl-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)phosphane

benzhydryl-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)phosphane (PubChem CID 89403313) has the molecular formula C22H23P and a molecular weight of 318.40 g/mol. Its IUPAC name is benzhydryl-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)phosphane.

Molecular Properties

Compound Namebenzhydryl-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)phosphane
PubChem CID89403313
Molecular FormulaC22H23P
Molecular Weight318.40 g/mol
Exact Mass318.15
IUPAC Namebenzhydryl-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)phosphane
SMILESCC(C)(C)C1=C/C(=P/C(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C22H23P/c1-22(2,3)19-14-15-20(16-19)23-21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,21H,1-3H3
InChIKeyPPYKJYYHTYAHDS-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzhydryl-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)phosphane?
The IUPAC name of benzhydryl-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)phosphane (CID 89403313) is benzhydryl-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)phosphane.
What is the SMILES notation for benzhydryl-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)phosphane?
The canonical SMILES for benzhydryl-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)phosphane is CC(C)(C)C1=C/C(=P/C(c2ccccc2)c2ccccc2)C=C1.
What is the InChIKey of benzhydryl-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)phosphane?
The InChIKey is PPYKJYYHTYAHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23P/c1-22(2,3)19-14-15-20(16-19)23-21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,21H,1-3H3.
What are the key properties of benzhydryl-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)phosphane?
benzhydryl-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)phosphane has a molecular weight of 318.40 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)phosphane is sourced from PubChem (CID 89403313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).